Dinitrophenylene

Dinitrophenylene

SCHEMBL2997371

Cl.O=[N+]([O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dinitrophenylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.67
HSP90AA1 known ✓ P07900 1/20 0.64
GAA known ✓ P10253 1/20 0.61
CA2 known ✓ P00918 1/20 0.57
TSHR P16473 6/20 0.94
LMNA P02545 2/20 0.94
CES2 O00748 1/20 0.68
CES1 P23141 1/20 0.68
ALDH1A1 P00352 6/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALOX15 P16050 1/20 0.67
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
TP53 P04637 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
NFE2L2 Q16236 1/20 0.57
CA5A P35218 1/20 0.57
FBP1 P09467 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dinitrophenylene SCHEMBL28101551 1.00 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL29143070 1.00 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL29291896 0.97 TSHR (1.00) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL36632 0.97 TSHR (1.00) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL9733868 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL9733861 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL30600045 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL29834109 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL11661349 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1
Dinitrophenylene SCHEMBL28186803 0.94 TSHR (0.94) TSHRLMNACES2CES1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118270738-A Method for producing sulfur black and sodium thiosulfate from 2, 4-dinitrobenzene chloride 宁夏朗利新材料股份有限公司 2024-07-02 CN claimed
CN-117024282-A Preparation method of nitroaniline 宁夏中盛新科技有限公司 2023-11-10 CN claimed
CN-112499872-B Conditioner and treatment method of 2, 4-dinitrochlorobenzene waste acid 浙江鸿盛化工有限公司 2022-11-11 CN claimed
CN-111100475-B Preparation method of sulfur dye 山西临汾染化(集团)有限责任公司 2022-02-18 CN claimed
CN-113354541-A Method for cleanly producing 2, 4-dinitro benzene chloride 天津泰研科技发展有限公司 2021-09-07 CN claimed
CN-112499872-A Conditioner and treatment method of 2, 4-dinitrochlorobenzene waste acid 浙江鸿盛化工有限公司 2021-03-16 CN claimed
CN-110627649-B Preparation method of 2, 4-dinitroaniline 浙江汇翔化学工业有限公司 2020-08-18 CN claimed
CN-110627649-A Preparation method of 2, 4-dinitroaniline 浙江汇翔化学工业有限公司 2019-12-31 CN claimed
CN-223263719-U 2, 4-Dinitrobenzene chloride purification device 新绛县德鑫化工有限公司 2025-08-26 CN disclosed
CN-223197626-U 2, 4-Dinitrobenzene chloride washing cyclic utilization device 新绛县德鑫化工有限公司 2025-08-08 CN disclosed
EP-4516778-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2025-03-05 EP disclosed
CN-115594629-B Carbazole derivative with AEE characteristic and preparation method and application thereof 辽宁师范大学 2024-10-11 CN disclosed
CN-118724793-A High-efficient H that detects2S carbazole fluorescent probe and synthesis method and application thereof 四川轻化工大学 2024-10-01 CN disclosed
CN-118270738-A Method for producing sulfur black and sodium thiosulfate from 2, 4-dinitrobenzene chloride 宁夏朗利新材料股份有限公司 2024-07-02 CN disclosed
US-8895805-B2 Method for modifying insect resistance of plants by utilizing RNAi technique SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2014-11-25 US disclosed
CN-103154808-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same NISSAN CHEMICAL IND LTD 2013-06-12 CN disclosed
US-20100181535-A1 THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES PICOQUANT GMBH (DE) 2010-07-22 US disclosed
US-20100050294-A1 METHOD FOR MODIFYING INSECT RESISTANCE OF PLANTS BY UTILIZING RNAI TECHNIQUE SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES CHINESE ACADEMY OF SCIENCES (CN) 2010-02-25 US disclosed
EP-2103690-A1 METHOD FOR MODIFYING INSECT RESISTANCE OF PLANTS BY UTILIZING RNAI TECHNIQUE Shanghai Institutes for Biological Sciences Chinese Academy of Sciences (CN) 2009-09-23 EP disclosed
CN-1542057-A Preparation method of azodiphenylamine yellow disperse dye 阮加根 2004-11-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100050294-A1 METHOD FOR MODIFYING INSECT RESISTANCE OF PLANTS BY UTILIZING RNAI TECHNIQUE AGO2, RNGTT, OSR1 ACHE 2866/4885HSP90AA1 2719/4885GAA 903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.