Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1707417

Cl.Cl.Cl.Cl.O=C(C=Cc1cnc(N[C@@H]2CCN(CCc3ccc(F)c(F)c3)C2)cn1)NO

nearest known ligand 0.38

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 5/20 0.38
HDAC8 known ✓ Q9BY41 5/20 0.38
HDAC6 known ✓ Q9UBN7 5/20 0.38
HDAC3 known ✓ O15379 3/20 0.38
HDAC4 known ✓ P56524 3/20 0.38
HDAC7 known ✓ Q8WUI4 3/20 0.38
HDAC2 known ✓ Q92769 3/20 0.38
HDAC10 known ✓ Q969S8 3/20 0.38
HDAC11 known ✓ Q96DB2 3/20 0.38
HDAC9 known ✓ Q9UKV0 3/20 0.38
HDAC5 known ✓ Q9UQL6 3/20 0.38
DRD2 known ✓ P14416 2/20 0.37
DRD3 known ✓ P35462 1/20 0.37
SIGMAR1 known ✓ Q99720 2/20 0.36
KCNH2 known ✓ Q12809 1/20 0.35
MAOA known ✓ P21397 1/20 0.35
ACHE known ✓ P22303 1/20 0.35
MAOB known ✓ P27338 1/20 0.35
DRD4 known ✓ P21917 1/20 0.34
HTR2A known ✓ P28223 1/20 0.34

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 SCHEMBL1706849 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1706853 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1708503 0.99 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1708505 0.99 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707329 0.95 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707276 0.95 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707327 0.95 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707637 0.94 ROCK2 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707635 0.94 ROCK2 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707075 0.91 SIGMAR1 (0.40) CCR3DRD2DRD3SIGMAR1KCNH2

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-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP claimed