Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9714965

CCOC(=O)Cc1c(N(C)C)n[nH]c1-c1ccc(Cl)cc1.Cl

nearest known ligand 0.53

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
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 9/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALPL P05186 1/20 0.44
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FPR1 P21462 1/20 0.40
MDM2 Q00987 1/20 0.40
GCGR P47871 1/20 0.39

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
SCHEMBL9715049 0.99 RAB9A (0.54) RAB9AKDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9714943 0.89 L3MBTL1 (0.45) RAB9AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9715038 0.88 L3MBTL1 (0.43) RAB9AKDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL9715064 0.84 PTGDR2 (0.39) RAB9AKDM4EMAPTALDH1A1HPGD
SCHEMBL9715021 0.83 PTGDR2 (0.39) RAB9AKDM4EMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL9714991 0.81 HSD17B10 (0.40) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL9714924 0.80 HSD17B10 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9714930 0.75 LMNA (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5023315 0.73 ALPL (0.55) RAB9AKDM4EMAPTHTTTP53
SCHEMBL9714927 0.71 RAB9A (0.44) RAB9AKDM4EALDH1A1HSD17B10HTT

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
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed