Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8831996

CN(C)C(C1=C([V])CC=C1)c1ccccc1.Cl.Cl.Cl

nearest known ligand 0.35

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 15)

geneUniProtsupporting neighboursconfidence
SRC known ✓ P12931 1/20 0.33
CHRNA7 known ✓ P36544 1/20 0.32
HTR2A known ✓ P28223 2/20 0.32
HRH1 known ✓ P35367 2/20 0.32
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL8832100 0.83 OPRD1 (0.34) TDP1HTR2AHRH1LMNA
Hydrochloric Acid SCHEMBL8831861 0.81 MEN1 (0.35) MEN1MAPTCYP2C9KMT2ATDP1
Hydrochloric Acid SCHEMBL8832134 0.81 MEN1 (0.35) MEN1MAPTCYP2C9KMT2ATDP1
Hydrochloric Acid SCHEMBL8831847 0.81 MEN1 (0.35) MEN1MAPTCYP2C9KMT2ATDP1
SCHEMBL7930512 0.79 KDM4E (0.33) MEN1MAPTCYP2C9KMT2ATDP1
Hydrochloric Acid SCHEMBL8852417 0.78 TDP1 (0.56) MAPTCYP2C9TDP1KDM4EHTR2A
SCHEMBL16317535 0.74 KDM4E (0.33) MEN1MAPTCYP2C9KMT2ATDP1
SCHEMBL18934202 0.74 CYP3A4 (0.31) TDP1KDM4EALDH1A1CHRNA7
SCHEMBL17058591 0.74 CYP3A4 (0.31) TDP1KDM4EALDH1A1CHRNA7
Hydrochloric Acid SCHEMBL8831933 0.73 MC4R (0.40) MEN1KMT2ATDP1ALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650528-A Metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1997-07-22 US disclosed
US-5646323-A COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-07-08 US disclosed
US-5591879-A INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1997-01-07 US disclosed
US-5578741-A OLEFIN POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-11-26 US disclosed
US-5565396-A METALLOCENE AND AN ORGANOALUMINOXANE COCATALYST FOR HOMO OR COPOLYMERIZING OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed
US-5563284-A COORDINATION CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1996-10-08 US disclosed
US-5554795-A Process for preparing cyclopentadienyl-type ligands PHILLIPS PETROLEUM COMPANY (US) 1996-09-10 US disclosed