Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28667779

Cl.O=C(NO)c1cnc(N2CC3(CN(Cc4coc5ccccc45)C3)C2)nc1

nearest known ligand 0.54

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
HDAC6 known ✓ Q9UBN7 15/20 0.54
HDAC3 known ✓ O15379 13/20 0.54
HDAC1 known ✓ Q13547 13/20 0.54
HDAC2 known ✓ Q92769 13/20 0.54
HDAC8 known ✓ Q9BY41 13/20 0.54
HDAC4 known ✓ P56524 9/20 0.43
HDAC7 known ✓ Q8WUI4 9/20 0.43
HDAC10 known ✓ Q969S8 9/20 0.43
HDAC11 known ✓ Q96DB2 9/20 0.43
HDAC9 known ✓ Q9UKV0 9/20 0.43
HDAC5 known ✓ Q9UQL6 9/20 0.43
DRD2 known ✓ P14416 4/20 0.41
DRD4 known ✓ P21917 4/20 0.41
DRD3 known ✓ P35462 4/20 0.41
KCNH2 known ✓ Q12809 1/20 0.41
PIK3CD known ✓ O00329 1/20 0.40
PIK3CA known ✓ P42336 1/20 0.40
NCOR2 Q9Y618 3/20 0.54
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
Hydrochloric Acid SCHEMBL32679654 0.92 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28597520 0.89 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28653704 0.83 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28928548 0.82 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28655972 0.81 HDAC2 (0.80) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28649591 0.81 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28656065 0.79 HDAC3 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28663001 0.78 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28658655 0.76 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28670529 0.76 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912576-B Cyclic or spirocyclic diamine pyrimidine-hydroxamic acids and their use 华东理工大学 2021-11-19 CN disclosed