Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17024436

Cl.Nc1cc([N+](=O)[O-])c(O)cc1O

nearest known ligand 0.61

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 Hydrochloric Acid. 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
GAA known ✓ P10253 2/20 0.50
CA2 known ✓ P00918 3/20 0.49
TTR known ✓ P02766 1/20 0.42
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 3/20 0.55
ALOX15 P16050 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HSD17B10 Q99714 2/20 0.55
THRB P10828 1/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA9 Q16790 3/20 0.49
GPR35 Q9HC97 4/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NSD2 O96028 1/20 0.44
PLCG1 P19174 1/20 0.44

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
SCHEMBL15723570 0.98 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL30892482 0.98 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL10942341 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL30979260 0.87 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL10930822 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL28623609 0.84 GPR35 (0.56) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL11809474 0.83 L3MBTL1 (0.59) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL70180 0.82 GPR35 (0.58) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL17059243 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1
SCHEMBL4699370 0.80 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPK1ALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601646-B 4 [6 (methyl mercapto) benzo [1,2 d:5,4 d '] two [base of 1,3] oxazoles 2] benzoic acid preparation method 南通大学 2017-10-17 CN claimed
CN-105601646-A Preparation method for 4-[6-(methylthio) benzo [1,2-d:5,4-d'] bis [1,3] oxazole-2-radical] benzoic acid UNIV NANTONG 2016-05-25 CN claimed
CN-104098589-B 4- [6- (methylthio) benzo [1,2-d:5, 4-d' ] di [1,3] oxazole-2-yl ] benzoic acid and preparation method thereof NANTONG UNIVERSITY (CN) 2016-05-04 CN claimed
CN-103664622-B The monomer of AB type hydroxyl modification superpolymer and intermediate thereof and preparation method JIANG University OF TECHNOLOGY (CN) 2016-01-13 CN claimed
CN-104119534-A Polyhydroxy-p-phenylene benzodioxazole polymer and preparation and application thereof JIN NINGREN 2014-10-29 CN claimed
CN-104098589-A 4- [6- (methylthio) benzo [1,2-d:5,4-d' ] di [1,3] oxazole-2-yl ] benzoic acid and preparation method thereof UNIV NANTONG 2014-10-15 CN claimed
CN-103664622-A Monomers and intermediates of AB type hydroxyl modified high polymer and preparation methods of monomers and intermediates UNIV ZHEJIANG TECHNOLOGY 2014-03-26 CN claimed
CN-1326831-C 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG TECHNOLOGY (CN) 2007-07-18 CN claimed
CN-1275950-C AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-09-20 CN claimed
CN-1709858-A 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-12-21 CN claimed
CN-1644578-A AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-07-27 CN claimed
CN-107163250-B A kind of preparation and application of 4,6- diamino resorcin hydrochlorate and its compound salt monomer for the modified PBO of monohydroxy 金宁人 2019-09-17 CN disclosed
CN-107163250-B A kind of preparation and application of 4,6- diamino resorcin hydrochlorate and its compound salt monomer for the modified PBO of monohydroxy 金宁人 2019-09-17 CN disclosed
CN-105601646-B 4 [6 (methyl mercapto) benzo [1,2 d:5,4 d '] two [base of 1,3] oxazoles 2] benzoic acid preparation method 南通大学 2017-10-17 CN disclosed
CN-107163250-A A kind of preparation and application for 4,6 diamino resorcin hydrochlorates and its compound salt monomer that PBO is modified for monohydroxy 金宁人 2017-09-15 CN disclosed
CN-1275950-C AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-09-20 CN disclosed
CN-1709858-A 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-12-21 CN disclosed
CN-1709858-A 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-12-21 CN disclosed
CN-1709858-A 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-12-21 CN disclosed
CN-1644578-A AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-07-27 CN disclosed