Hydrochloric Acid

Hydrochloric Acid

SCHEMBL905696

Cl.O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
ROCK2 known ✓ O75116 4/20 1.00
PRKCG known ✓ P05129 5/20 0.98
PRKCZ known ✓ Q05513 5/20 0.98
PRKCD known ✓ Q05655 5/20 0.98
PRKD3 known ✓ O94806 4/20 0.98
PRKCB known ✓ P05771 4/20 0.98
PRKCA known ✓ P17252 4/20 0.98
PRKCH known ✓ P24723 4/20 0.98
PRKCI known ✓ P41743 4/20 0.98
PRKCE known ✓ Q02156 4/20 0.98
PRKCQ known ✓ Q04759 4/20 0.98
PRKD1 known ✓ Q15139 4/20 0.98
KDR known ✓ P35968 1/20 0.98
ROCK1 known ✓ Q13464 1/20 0.98
FLT3 known ✓ P36888 9/20 0.76
GLA known ✓ P06280 1/20 0.57
PRKACA P17612 6/20 1.00
PRKACG P22612 4/20 1.00
PRKACB P22694 4/20 1.00
MAPK1 P28482 3/20 1.00

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 SCHEMBL1048974 1.00 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
Hydrochloric Acid SCHEMBL29664044 1.00 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
Hydrochloric Acid SCHEMBL29967768 1.00 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
Hydrochloric Acid SCHEMBL1048972 1.00 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
SCHEMBL29967929 0.99 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
SCHEMBL123495 0.99 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
SCHEMBL123496 0.99 PRKACA (1.00) PRKACAROCK2PRKACGPRKACBMAPK1
Bromide SCHEMBL3347119 0.98 PRKACA (0.98) PRKACAROCK2PRKACGPRKACBMAPK1
Bromide SCHEMBL3347113 0.98 PRKACA (0.98) PRKACAROCK2PRKACGPRKACBMAPK1
Hydrochloric Acid SCHEMBL9482815 0.90 PRKACA (0.82) PRKACAROCK2PRKACGPRKACBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867994-B1 Ligand for G-protein coupled receptor GPR72 and uses thereof EUROSCREEN SA (BE) 2012-09-26 EP disclosed
EP-2020604-B1 Ligand for G-protein coupled receptor FPRL2 EUROSCREEN SA (BE) 2011-01-19 EP disclosed
US-7842795-B2 Gene sequence coding formyl peptide receptor binding protein; diagnosing cancer, wound bone healing, obesity, acute heart failure, hypotension, hypertension, urinary retention, osteoporosis, restenosis, atherosclerosis, thrombosis, cardiovascular, autoimmune and nervous system disorders EUROSCREEN S.A. (BE) 2010-11-30 US disclosed
US-7824866-B2 Ligand for G-protein coupled receptor GPR72 and uses thereof EUROSCREEN S.A. (BE) 2010-11-02 US disclosed
EP-1607745-B1 Ligand for G-protein coupled receptor FPRL2 and uses thereof EUROSCREEN SA (BE) 2010-02-24 EP disclosed
US-7659251-B2 Ligand for G-protein coupled receptor FPRL2 OGEDA SA (BE) 2010-02-09 US disclosed
US-20100009406-A1 Nucleic acids encoding a heme binding protein polypeptide OGEDA SA (BE) 2010-01-14 US disclosed
US-7582416-B2 Detecting of formyl peptide receptor like-2 (FPRL2) polypeptide activity using a heme binding protein (HBP) polypeptide as a modulating agents of polypeptide activity;. antibodies against FPRL2; drug screening for treating diseases characterized by dysregulation of FPRL2 polypeptide signal transduction OGEDA SA (BE) 2009-09-01 US disclosed
US-20090053739-A1 Ligand for G-protein coupled receptor FPRL2 and uses thereof OGEDA SA (BE) 2009-02-26 US disclosed
EP-2020604-A1 Ligand for G-protein coupled receptor FPRL2 and uses thereof Euroscreen S.A. (BE) 2009-02-04 EP disclosed
US-20080286806-A1 Ligand for G-protein coupled receptor GPR43 and uses thereof EUROSCREEN S.A. 2008-11-20 US disclosed
US-20080274124-A1 Ligand for G-protein coupled receptor GPR72 and uses thereof EUROSCREEN S. A. 2008-11-06 US disclosed
EP-1867994-A2 Ligand for G-protein coupled receptor GPR72 and uses thereof Euroscreen S.A. (BE) 2007-12-19 EP disclosed
US-7303889-B2 Ligand for G-protein coupled receptor GPR43 and uses thereof EUROSCREEN S.A. (BE) 2007-12-04 US disclosed
US-20060078559-A1 Ligand for G-protein coupled receptor FPRL2 and uses thereof OGEDA SA (BE) 2006-04-13 US disclosed
EP-1607745-A2 Ligand for G-protein coupled receptor FPRL2 and uses thereof Euroscreen S.A. (BE) 2005-12-21 EP disclosed
US-20030175775-A1 Ligand for G-protein coupled receptor GPR43 and uses thereof EPICS THERAPEUTICS (BE) 2003-09-18 US disclosed