Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7932202

Cl.O=C(CCN1CCSCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

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 16)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 2/20 0.60
KCNH2 known ✓ Q12809 2/20 0.46
KMT2A Q03164 7/20 0.61
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
GSK3B P49841 1/20 0.48
GFER P55789 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MPI P34949 1/20 0.46
SOD1 P00441 1/20 0.46
KCNJ1 P48048 2/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45

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 SCHEMBL907064 0.86 ALDH1A1 (0.64) KMT2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7929095 0.85 KMT2A (0.66) KMT2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7930353 0.84 ALDH1A1 (0.67) KMT2AHTR1AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL5416354 0.80 HTR1A (0.69) KMT2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL31093179 0.78 KMT2A (0.71) KMT2AHTR1AALDH1A1MAPTGFER
Hydrochloric Acid SCHEMBL5365054 0.78 KMT2A (0.60) KMT2AHTR1AKDM4EALDH1A1MAPT
SCHEMBL7036659 0.77 KMT2A (0.56) KMT2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7249072 0.76 TTR (0.43) KMT2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5365905 0.76 HTR1A (0.60) KMT2AHTR1AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5360526 0.76 HTR1A (0.64) KMT2AHTR1AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705501-A ADMINISTERING TO INHIBIT FORMATION OF ABNORMAL PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION (US) 1998-01-06 US claimed
US-6228878-B1 ADMINISTERING INDOLIN-5-ONE DERIVATIVES; INHIBITING FORMATION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION 2001-05-08 US disclosed
US-5968936-A ADMINISTERING SUBSTITUTED 4,5,6,7-TETRAHYDRO-5-MORPHOLINOMETHYL-4-OXOINDOLES MOLECUALR GERIATRICS CORPORATION (US) 1999-10-19 US disclosed
US-5705501-A ADMINISTERING TO INHIBIT FORMATION OF ABNORMAL PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPES MOLECULAR GERIATRICS CORPORATION (US) 1998-01-06 US disclosed