Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4602018

CNc1nc(OC)ccc1N.Cl.Cl

nearest known ligand 0.40

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
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PDE10A Q9Y233 2/20 0.37
NNMT P40261 2/20 0.36
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
PTPN1 P18031 1/20 0.33
PGK1 P00558 1/20 0.33

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 SCHEMBL3391003 1.00 SIRT2 (0.40) SIRT2SIRT1PDE10ANNMTALDH1A1
Hydrochloric Acid SCHEMBL31409347 1.00 SIRT2 (0.40) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL29378197 0.98 SIRT2 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL95212 0.98 SIRT2 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1
Hydrochloric Acid SCHEMBL22612465 0.94 SIRT2 (0.39) SIRT2SIRT1PDE10ANNMTALDH1A1
Sulfuric Acid SCHEMBL8448369 0.88 NNMT (0.38) SIRT2SIRT1PDE10ANNMTALDH1A1
Orcinol SCHEMBL6424543 0.84 NNMT (0.36) SIRT2SIRT1PDE10ANNMTALDH1A1
Resorcinol SCHEMBL8056965 0.84 HSD17B1 (0.41) SIRT2SIRT1NNMTALDH1A1TDP1
SCHEMBL8043904 0.83 NNMT (0.35) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL3245424 0.82 ALDH1A1 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108482755-B Food package sealing machine 徐州工程学院 2020-08-25 CN claimed
CN-108482755-B Food package sealing machine 徐州工程学院 2020-08-25 CN disclosed
EP-0832640-B1 Oxidation dyeing composition for keratin fibres HENKEL KGAA (DE) 2008-04-30 EP disclosed
EP-1222912-B1 Hair dye and process for dyeing human hair KPSS KAO GMBH (DE) 2006-11-15 EP disclosed
US-7081140-B2 Developer components and their use for dyeing keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-07-25 US disclosed
EP-1292269-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-09 EP disclosed
EP-1239818-B1 ENZYMATIC DYE HENKEL KGAA (DE) 2004-06-09 EP disclosed
EP-1103542-B1 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres WELLA AG (DE) 2004-04-28 EP disclosed
EP-1110942-B1 Use of 2-aminomethyl-1,4-diamino-benzene and salts thereof in dyeing composition for keratin fibers WELLA AG (DE) 2003-10-01 EP disclosed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
EP-1103248-B1 Hair dyeing composition comprising N-ethyl-N-isopropyl-p-phenylenediamine GOLDWELL GMBH (DE) 2001-08-22 EP disclosed
EP-1110942-A2 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers Wella Aktiengesellschaft (DE) 2001-06-27 EP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
EP-0750490-B1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 2000-11-08 EP disclosed
EP-0943319-A2 Hair-dye GOLDWELL GmbH (DE) 1999-09-22 EP disclosed
EP-0832640-A2 Oxidation dyeing composition for keratin fibres Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-01 EP disclosed
WO-1991009587-A1 AGENT AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR WELLA AKTIENGESELLSCHAFT (DE) 1991-07-11 WO disclosed