Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7811543

Cc1cnc(O)c2cccc(S(=O)(=O)N3CCNC(C)CC3)c12.Cl

nearest known ligand 0.44

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
▸ PRKCD known ✓ Q05655 4/20 0.44
▸ PRKD3 known ✓ O94806 3/20 0.44
▸ PRKCZ known ✓ Q05513 3/20 0.44
▸ PRKCE known ✓ Q02156 3/20 0.44
▸ PRKD1 known ✓ Q15139 3/20 0.44
▸ PRKCG known ✓ P05129 2/20 0.44
▸ PRKCB known ✓ P05771 2/20 0.44
▸ PRKCA known ✓ P17252 2/20 0.44
▸ PRKCH known ✓ P24723 2/20 0.44
▸ PRKCI known ✓ P41743 2/20 0.44
▸ PRKCQ known ✓ Q04759 2/20 0.44
▸ ROCK2 known ✓ O75116 7/20 0.40
▸ ROCK1 known ✓ Q13464 6/20 0.40
▸ LCK known ✓ P06239 1/20 0.38
▸ FGFR1 known ✓ P11362 1/20 0.38
▸ FLT4 known ✓ P35916 1/20 0.38
▸ KDR known ✓ P35968 1/20 0.38
▸ CYP3A4 P08684 4/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44

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
SCHEMBL7811531 0.88 PRKCD (0.44) CYP3A4PRKCDNFKB1PRKD3PRKCZ
SCHEMBL7810942 0.86 CYP3A4 (0.53) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL7807394 0.85 PRKCD (0.48) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL6977023 0.83 LMNA (0.56) CYP3A4PRKCDNFKB1PRKD3PRKCZ
SCHEMBL7802377 0.82 CYP3A4 (0.55) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL7718819 0.81 ROCK2 (0.61) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL6978500 0.81 ROCK2 (0.61) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL2455611 0.81 ROCK2 (0.61) CYP3A4PRKCDNFKB1PRKD3PRKCZ
Hydrochloric Acid SCHEMBL2453881 0.81 ROCK2 (0.61) CYP3A4PRKCDNFKB1PRKD3PRKCZ
SCHEMBL2010637 0.80 ALOX5AP (0.43) ROCK2ROCK1COMT

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-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 — — EP disclosed
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