Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9735120

CN(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)o1.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
PPARG known ✓ P37231 1/20 0.46
PDE4B known ✓ Q07343 1/20 0.44
GAA known ✓ P10253 2/20 0.41
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
PRNP P04156 1/20 0.54
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 2/20 0.46
TSHR P16473 1/20 0.46
NCOA2 Q15596 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43

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 SCHEMBL9478421 0.86 ERCC5 (0.57) KDM4EALDH1A1HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL9734823 0.86 SLC9A1 (0.48) KDM4EALDH1A1HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL9480948 0.86 ERCC5 (0.56) ALDH1A1HPGDHSD17B10MAPTPKM
Hydrochloric Acid SCHEMBL9478660 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
Hydrochloric Acid SCHEMBL9735185 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL9736210 0.83 ERCC5 (0.47) ERCC5FEN1
Hydrochloric Acid SCHEMBL9734309 0.81 SLC9A1 (0.50) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL11635865 0.80 ALDH1A1 (0.61) KDM4EALDH1A1HPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL9734438 0.80 SLC9A1 (0.49) PDE4BERCC5FEN1
Hydrochloric Acid SCHEMBL2287953 0.76 GSR (0.58) KDM4EALDH1A1

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-5091426-A 5-PHENYL-2-FURAN KETONES AND USE AS ANTIEPILEPTIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1992-02-25 US disclosed
EP-0404232-A1 The use of 5-phenyl-2-furan ketones as antiepileptic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP disclosed