Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10465014

COC(=N)c1ccc(-c2ccc(Br)cc2)o1.Cl

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
PDE4B known ✓ Q07343 1/20 0.44
GAA known ✓ P10253 3/20 0.43
OPRM1 known ✓ P35372 1/20 0.41
OPRD1 known ✓ P41143 1/20 0.41
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 9/20 0.54
HPGD P15428 7/20 0.54
LMNA P02545 4/20 0.54
HSD17B10 Q99714 3/20 0.54
PRNP P04156 1/20 0.54
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.47
NQO2 P16083 1/20 0.47
PKM P14618 1/20 0.47
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43

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 SCHEMBL11607895 0.85 TOP2A (0.49) KDM4EALDH1A1HPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL11729557 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL10463751 0.79 ALDH1A1 (0.67) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL11725201 0.78 MAPT (0.56) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL11491771 0.75 MAPT (0.58) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL24470352 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL10464945 0.74 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL25275688 0.72 ALDH1A1 (0.71) KDM4EALDH1A1HPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL10465144 0.71 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5963207 0.71 ALDH1A1 (0.58) KDM4EALDH1A1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895867-A 2-(5-phenyl-2-furanyl)imidazoles useful as cardiotonic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-01-23 US disclosed
EP-0251380-A2 2- (5-phenyl-2-furanyl) imidazoles useful as cardiotonic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1988-01-07 EP disclosed