Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8704142

COc1cc(C)cc(N)c1NC(=O)c1ccccc1.Cl

nearest known ligand 0.54

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
HDAC2 known ✓ Q92769 3/20 0.47
HDAC1 known ✓ Q13547 1/20 0.47
HDAC8 known ✓ Q9BY41 1/20 0.47
HDAC6 known ✓ Q9UBN7 1/20 0.47
KCNK3 known ✓ O14649 1/20 0.47
KCNK9 known ✓ Q9NPC2 1/20 0.47
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EPHX1 P07099 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3408543 0.83 PKM (0.49) MEN1KMT2APKMMAPK1KDM4E
Hydrochloric Acid SCHEMBL8704143 0.76 MEN1 (0.48) MEN1KMT2AEPHX1PKMMAPK1
Hydrochloric Acid SCHEMBL27529982 0.75 MEN1 (0.44) MEN1KMT2AMAPK1KDM4EHSD17B10
Acetic Acid SCHEMBL8909148 0.74 RAB9A (0.63) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL16071443 0.74 EPHX1 (0.76) MEN1KMT2AEPHX1MAPK1KDM4E
SCHEMBL10647491 0.74 MEN1 (0.62) MEN1KMT2AMAPK1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL11120074 0.74 MEN1 (0.70) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL131762 0.74 MEN1 (0.62) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL29407250 0.74 MEN1 (0.62) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL5475142 0.74 MEN1 (0.66) MEN1KMT2AMAPK1KDM4EHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497870-B1 ENZYME ASSAY AND ASSAY KIT TO MEASURE CELLULAR ACTIVATION JAFFE RUSSELL M (US) 1998-09-16 EP disclosed
EP-0497870-A4 ENZYME ASSAY AND ASSAY KIT TO MEASURE CELLULAR ACTIVATION 1992-09-16 EP disclosed
EP-0497870-A1 ENZYME ASSAY AND ASSAY KIT TO MEASURE CELLULAR ACTIVATION JAFFE, Russell M. (US) 1992-08-12 EP disclosed
WO-1991006859-A1 ENZYME ASSAY AND ASSAY KIT TO MEASURE CELLULAR ACTIVATION JAFFE RUSSELL M (US) 1991-05-16 WO disclosed
EP-0122023-A1 Microorganisms detection methods and the separation of agglutinated microorganisms, and a kit for use therein E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed
EP-0122028-A1 Colorimetric assay for enzymes, diagnostic article therefor and a method for forming such article E-Y LABORATORIES, INC. (US) 1984-10-17 EP disclosed