Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9512459

Cl.NCc1cnc(-c2ccccc2)o1

nearest known ligand 0.52

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
HDAC1 known ✓ Q13547 3/20 0.47
HDAC2 known ✓ Q92769 3/20 0.47
HDAC3 known ✓ O15379 2/20 0.47
HDAC4 known ✓ P56524 2/20 0.47
HDAC7 known ✓ Q8WUI4 2/20 0.47
HDAC10 known ✓ Q969S8 2/20 0.47
HDAC11 known ✓ Q96DB2 2/20 0.47
HDAC8 known ✓ Q9BY41 2/20 0.47
HDAC6 known ✓ Q9UBN7 2/20 0.47
HDAC9 known ✓ Q9UKV0 2/20 0.47
HDAC5 known ✓ Q9UQL6 2/20 0.47
GAA known ✓ P10253 2/20 0.43
GLA known ✓ P06280 1/20 0.43
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
RAB9A P51151 5/20 0.49
NOTUM Q6P988 3/20 0.49

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
SCHEMBL4652514 0.98 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL24784588 0.79 HDAC1 (0.55) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL12827256 0.79 CYP11B1 (0.55) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL4278243 0.79 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL9863750 0.79 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL5542313 0.79 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9264018 0.77 HDAC1 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL14382237 0.76 HDAC1 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL10184678 0.76 HDAC1 (0.56) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL5535861 0.76 HDAC1 (0.52) ALOX15TSHRCASP1CYP11B1CYP11B2

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
EP-0566593-A1 N-HYDROXYUREA DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1993-10-27 EP disclosed
WO-1992012141-A1 N-HYDROXYUREA DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-07-23 WO disclosed