Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9203774

CCOC(=O)C1=C(CNC(=N)S)NC(C)=C(C(=O)OC)C1C1CC1.Cl

nearest known ligand 0.40

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 3/20 0.36
ADRA1A known ✓ P35348 3/20 0.36
SLC6A3 known ✓ Q01959 3/20 0.36
ADRB3 known ✓ P13945 2/20 0.36
OPRK1 known ✓ P41145 2/20 0.36
SCN5A known ✓ Q14524 2/20 0.36
NR3C1 known ✓ P04150 1/20 0.36
AGTR1 known ✓ P30556 1/20 0.36
SCN1A known ✓ P35498 1/20 0.36
PDE4D known ✓ Q08499 1/20 0.36
SCN2A known ✓ Q99250 1/20 0.36
SCN3A known ✓ Q9NY46 1/20 0.36
HTR1A known ✓ P08908 2/20 0.35
ADRA2A known ✓ P08913 2/20 0.35
CHRM1 known ✓ P11229 2/20 0.35
DRD1 known ✓ P21728 2/20 0.35
SLC6A2 known ✓ P23975 2/20 0.35
OPRM1 known ✓ P35372 2/20 0.35
DRD3 known ✓ P35462 2/20 0.35
KCNH2 known ✓ Q12809 2/20 0.35

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 SCHEMBL9212229 0.96 TSHR (0.39) LMNATP53TSHRSMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9205111 0.96 LMNA (0.39) LMNATP53TSHRSMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9215675 0.95 TSHR (0.39) LMNATP53TSHRSMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9216303 0.95 TSHR (0.39) LMNATP53TSHRSMN1; SMN2ADORA3
SCHEMBL9203542 0.94 TSHR (0.39) LMNATP53TSHRSMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9210450 0.84 NPSR1 (0.45) TSHRCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL9207413 0.83 NPSR1 (0.46) TSHRCYP2C9CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9212105 0.81 NPSR1 (0.48) TSHRCYP2C9CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9214108 0.81 NPSR1 (0.51) TSHRCYP2C9CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9212494 0.80 NPSR1 (0.53) TP53TSHRCYP2C9MEN1CYP1A2

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
EP-0536169-B1 [3H,7H]THIAZOLO [3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1995-04-05 EP disclosed