Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9843541

C[C@H]1COc2c(N3CC4=C(CN(C)C4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl

nearest known ligand 0.78

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
HRH3 known ✓ Q9Y5N1 1/20 0.78
TOP2A known ✓ P11388 3/20 0.59
TOP2B known ✓ Q02880 3/20 0.59
HDAC1 known ✓ Q13547 6/20 0.49
HDAC2 known ✓ Q92769 6/20 0.49
HDAC6 known ✓ Q9UBN7 6/20 0.49
HDAC3 known ✓ O15379 5/20 0.47
HDAC4 known ✓ P56524 5/20 0.47
HDAC7 known ✓ Q8WUI4 5/20 0.47
HDAC10 known ✓ Q969S8 5/20 0.47
HDAC11 known ✓ Q96DB2 5/20 0.47
HDAC8 known ✓ Q9BY41 5/20 0.47
HDAC9 known ✓ Q9UKV0 5/20 0.47
HDAC5 known ✓ Q9UQL6 5/20 0.47
KDM4E B2RXH2 7/20 0.78
ALDH1A1 P00352 5/20 0.78
HPGD P15428 4/20 0.78
HSD17B10 Q99714 2/20 0.78
ALB P02768 1/20 0.78
TUBB4A P04350 6/20 0.77

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
SCHEMBL9842834 0.99 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9842703 0.89 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10ALB
Levofloxacin Anhydrous SCHEMBL554426 0.89 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Levofloxacin Anhydrous SCHEMBL27549800 0.89 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Levofloxacin Anhydrous SCHEMBL30209775 0.89 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Ofloxacin SCHEMBL2778451 0.89 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Levofloxacin Anhydrous SCHEMBL28565611 0.89 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Levofloxacin Anhydrous SCHEMBL27810870 0.88 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10ALB
Ofloxacin SCHEMBL24373 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALB
Ofloxacin SCHEMBL9745243 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALB

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-0424851-A1 Quinolone compounds and a process for their preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-05-02 EP disclosed