Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9256214

CN(C)CC1(O)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.Cl

nearest known ligand 0.59

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
▸ FLT4 known ✓ P35916 1/20 0.59
▸ SLC6A3 known ✓ Q01959 1/20 0.59
▸ EDNRA known ✓ P25101 1/20 0.44
▸ DPP4 known ✓ P27487 6/20 0.41
▸ HSP90AA1 known ✓ P07900 1/20 0.38
▸ CHRM2 known ✓ P08172 1/20 0.37
▸ DRD1 known ✓ P21728 1/20 0.37
▸ KMT2A Q03164 2/20 0.59
▸ EPHA2 P29317 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ RARB P10826 1/20 0.59
▸ TBXAS1 P24557 1/20 0.59
▸ LMNA P02545 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ XBP1 P17861 1/20 0.56
▸ NFKB1 P19838 1/20 0.56

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
SCHEMBL9717969 0.99 KMT2A (0.60) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9258854 0.89 KMT2A (0.51) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL9287410 0.85 KDM4E (0.45) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL9175323 0.84 DPP4 (0.53) KMT2ALMNAALDH1A1KDM4EHSD17B10
SCHEMBL9181492 0.83 DPP4 (0.54) KMT2ALMNAALDH1A1KDM4EHSD17B10
SCHEMBL9080327 0.81 KMT2A (0.64) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8322472 0.80 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL14499425 0.80 KMT2A (0.75) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9146420 0.80 EPHA2 (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5868674 0.79 KMT2A (0.71) KMT2AEPHA2FLT4GSK3BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453422-A Animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
US-5284842-A Active against gramnegative bacteria BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
US-5173484-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 — — US disclosed
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