Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7665340

CN(C)CCN(c1ccccc1NCCOc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12.Cl

nearest known ligand 0.43

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
▸ ROCK1 known ✓ Q13464 3/20 0.43
▸ ROCK2 known ✓ O75116 1/20 0.38
▸ FLT3 known ✓ P36888 2/20 0.37
▸ PRKD3 known ✓ O94806 2/20 0.37
▸ PRKCG known ✓ P05129 2/20 0.37
▸ PRKCB known ✓ P05771 2/20 0.37
▸ PRKCA known ✓ P17252 2/20 0.37
▸ PRKCH known ✓ P24723 2/20 0.37
▸ PRKCI known ✓ P41743 2/20 0.37
▸ PRKCE known ✓ Q02156 2/20 0.37
▸ PRKCQ known ✓ Q04759 2/20 0.37
▸ PRKCZ known ✓ Q05513 2/20 0.37
▸ PRKCD known ✓ Q05655 2/20 0.37
▸ PRKD1 known ✓ Q15139 2/20 0.37
▸ GLA known ✓ P06280 1/20 0.37
▸ PRKACA P17612 2/20 0.41
▸ PRKACG P22612 2/20 0.41
▸ PRKACB P22694 2/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ P2RX7 Q99572 7/20 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
SCHEMBL7665348 0.99 ROCK1 (0.44) ROCK1PRKACAPRKACGPRKACBAKT2
Hydrochloric Acid SCHEMBL7671787 0.91 HTR6 (0.40) PMP22CYP3A4SMN1; SMN2
SCHEMBL7671799 0.90 HTR6 (0.40) PMP22CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL7662933 0.84 BLM (0.39) LMNAPMP22MEN1KMT2ACYP3A4
SCHEMBL7662944 0.83 HRH3 (0.39) LMNAPMP22MEN1KMT2ACYP3A4
SCHEMBL9484230 0.82 FLT3 (0.51) ROCK1PRKACAPRKACGPRKACBAKT2
SCHEMBL9484225 0.82 FLT3 (0.51) ROCK1PRKACAPRKACGPRKACBAKT2
Hydrochloric Acid SCHEMBL7670137 0.80 OXTR (0.41) PMP22MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL7672815 0.80 OXTR (0.42) LMNAPMP22MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7663056 0.79 PGR (0.40) LMNAPMP22SMN1; SMN2F2TP53

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-6403607-B1 ANTIULCER Hidaka, Hiroyoshi (JP) 2002-06-11 — — US disclosed
EP-1072587-A1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-01-31 — — EP disclosed
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