Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9155458

CCn1cc(C(=O)C[N+](=O)[O-])c(=O)c2cc(F)c(N3CCC(N)C3)c(F)c21.Cl

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
OPRM1 known ✓ P35372 1/20 0.47
OPRD1 known ✓ P41143 1/20 0.47
TOP1 known ✓ P11387 5/20 0.47
TOP2A known ✓ P11388 12/20 0.46
TOP2B known ✓ Q02880 9/20 0.43
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
PMP22 Q01453 1/20 0.55
POLB P06746 1/20 0.47
PIM1 P11309 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PIM3 Q86V86 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46

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 SCHEMBL9151389 0.92 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8566204 0.86 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL8699900 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9152452 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL27408373 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9155434 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9155606 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9153354 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9152002 0.81 KCNH2 (0.62) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL8122690 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10PMP22

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