Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8091098

C/C(=N\c1ccccc1C(C)C)c1cccc(/C(C)=N/c2ccccc2C(C)C)n1.Cl.[Fe]

nearest known ligand 0.46

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
SIGMAR1 known ✓ Q99720 7/20 0.44
GRIN2D known ✓ O15399 1/20 0.43
GRIN3B known ✓ O60391 1/20 0.43
GRIN1 known ✓ Q05586 1/20 0.43
GRIN2A known ✓ Q12879 1/20 0.43
GRIN2B known ✓ Q13224 1/20 0.43
GRIN2C known ✓ Q14957 1/20 0.43
GRIN3A known ✓ Q8TCU5 1/20 0.43
SCN5A known ✓ Q14524 1/20 0.37
SCN2A known ✓ Q99250 1/20 0.37
GABRA1 known ✓ P14867 3/20 0.36
GABRB2 known ✓ P47870 2/20 0.36
GABRG2 known ✓ P18507 2/20 0.36
GABRB3 known ✓ P28472 2/20 0.36
CA2 known ✓ P00918 1/20 0.36
GABRB1 known ✓ P18505 1/20 0.36
PTGS1 known ✓ P23219 1/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
HTR2C known ✓ P28335 1/20 0.36
GABRA5 known ✓ P31644 1/20 0.36

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
SCHEMBL30635011 0.97 SIGMAR1 (0.46) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL4618229 0.97 SIGMAR1 (0.46) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL4618223 0.97 SIGMAR1 (0.46) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL5586865 0.95 SIGMAR1 (0.45) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL5693660 0.95 SIGMAR1 (0.45) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL3291942 0.94 SIGMAR1 (0.44) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL5833496 0.94 SIGMAR1 (0.44) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL3291945 0.94 SIGMAR1 (0.44) NOS3NOS1NOS2SIGMAR1GRIN2D
SCHEMBL5833498 0.91 SIGMAR1 (0.42) NOS3NOS1NOS2SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL2551573 0.91 NOS3 (0.39) NOS3NOS1NOS2SIGMAR1GRIN2D

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-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed