Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15554159

Cl.N=C(N)NC(=O)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

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
▸ HDAC3 known ✓ O15379 3/20 0.44
▸ HDAC1 known ✓ Q13547 3/20 0.44
▸ HDAC4 known ✓ P56524 2/20 0.44
▸ HDAC8 known ✓ Q9BY41 2/20 0.44
▸ HDAC6 known ✓ Q9UBN7 2/20 0.44
▸ CHRM1 known ✓ P11229 5/20 0.43
▸ HDAC2 known ✓ Q92769 2/20 0.43
▸ HDAC10 known ✓ Q969S8 2/20 0.43
▸ HDAC11 known ✓ Q96DB2 2/20 0.43
▸ HDAC7 known ✓ Q8WUI4 1/20 0.41
▸ HDAC9 known ✓ Q9UKV0 1/20 0.41
▸ HDAC5 known ✓ Q9UQL6 1/20 0.41
▸ PTGS1 known ✓ P23219 1/20 0.41
▸ EPHX1 P07099 1/20 0.61
▸ BACE1 P56817 1/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.47
▸ UBE2N P61088 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ ALPI P09923 1/20 0.41

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 SCHEMBL15553761 1.00 EPHX1 (0.61) EPHX1BACE1BACE2UBE2NPOLB
Hydrochloric Acid SCHEMBL15553133 1.00 EPHX1 (0.61) EPHX1BACE1BACE2UBE2NPOLB
SCHEMBL15554157 0.98 EPHX1 (0.63) EPHX1BACE1BACE2UBE2NPOLB
SCHEMBL15553655 0.98 EPHX1 (0.63) EPHX1BACE1BACE2UBE2NPOLB
SCHEMBL15555286 0.98 EPHX1 (0.63) EPHX1BACE1BACE2UBE2NPOLB
Hydrochloric Acid SCHEMBL15553696 0.90 EPHX1 (0.50) EPHX1BACE1BACE2UBE2NPOLB
Hydrochloric Acid SCHEMBL15553324 0.90 EPHX1 (0.50) EPHX1BACE1BACE2UBE2NPOLB
Hydrochloric Acid SCHEMBL15553386 0.90 MEN1 (0.50) EPHX1BACE1BACE2UBE2NPKM
Hydrochloric Acid SCHEMBL15552768 0.90 EPHX1 (0.50) EPHX1BACE1BACE2UBE2NPOLB
Hydrochloric Acid SCHEMBL15560142 0.90 EPHX1 (0.50) EPHX1BACE1BACE2UBE2NHDAC3

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-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO claimed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO disclosed
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