Hydrochloric Acid

Hydrochloric Acid

SCHEMBL31278432

CCCCCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nc1.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 19)

geneUniProtsupporting neighboursconfidence
▸ LCK known ✓ P06239 1/20 0.47
▸ KDR known ✓ P35968 1/20 0.47
▸ TSHR P16473 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ AKR1C3 P42330 3/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ TEK Q02763 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPK10 P53779 1/20 0.47

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
SCHEMBL31278057 0.85 HIF1A (0.57) TSHRKMT2ARAF1MEN1KDM4E
Hydrochloric Acid SCHEMBL31277724 0.85 RAF1 (0.53) TSHRKMT2ARAF1MEN1HPGD
SCHEMBL12136750 0.84 SMN1; SMN2 (0.56) TSHRKMT2AMEN1KDM4EHPGD
Hydrochloric Acid SCHEMBL31277663 0.84 ALDH1A1 (0.49) TSHRKMT2AMEN1KDM4ETDP1
SCHEMBL14971140 0.83 KMT2A (0.57) TSHRKMT2ARAF1MEN1KDM4E
SCHEMBL14965581 0.83 KMT2A (0.57) TSHRKMT2AMEN1KDM4EHPGD
Hydrochloric Acid SCHEMBL31278071 0.82 GRM4 (0.55) KMT2ARAF1MEN1HTTMAPT
SCHEMBL31278436 0.81 PLK1 (0.56) TSHRKMT2ARAF1MEN1KDM4E
Hydrochloric Acid SCHEMBL31277950 0.80 BACE1 (0.58) TSHRKMT2AMEN1KDM4ETDP1
Hydrochloric Acid SCHEMBL31277879 0.79 MEN1 (0.51) TSHRKMT2AMEN1KDM4EHPGD

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
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 — — WO claimed
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 — — WO disclosed
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