Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9153182

CN[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)C[N+](=O)[O-])cn(C4CC4)c3c2OC)C1.Cl

nearest known ligand 0.60

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
KCNH2 known ✓ Q12809 4/20 0.59
OPRM1 known ✓ P35372 2/20 0.56
PRKD3 known ✓ O94806 1/20 0.56
TOP1 known ✓ P11387 1/20 0.55
CHRM2 known ✓ P08172 1/20 0.44
CHRM1 known ✓ P11229 1/20 0.44
OPRD1 known ✓ P41143 1/20 0.44
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
POLB P06746 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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 SCHEMBL9155574 1.00 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9156016 1.00 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9152002 0.90 KCNH2 (0.62) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9154696 0.89 ALDH1A1 (0.57) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9152260 0.89 ALDH1A1 (0.57) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9159820 0.89 ALDH1A1 (0.57) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL5571234 0.86 KCNH2 (0.75) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8688314 0.82 KCNH2 (0.50) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9156507 0.82 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL9154735 0.82 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDTDP1

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
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US claimed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO claimed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP claimed
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US disclosed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO disclosed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP disclosed