Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4456296

Cl.Cl.Cl.OCCNCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.81

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
GLA known ✓ P06280 1/20 0.81
GAA known ✓ P10253 1/20 0.81
HTR1A known ✓ P08908 2/20 0.80
ADRA2A known ✓ P08913 2/20 0.80
CHRM1 known ✓ P11229 2/20 0.80
DRD2 known ✓ P14416 2/20 0.80
ADRA2B known ✓ P18089 2/20 0.80
ADRA2C known ✓ P18825 2/20 0.80
CHRM3 known ✓ P20309 2/20 0.80
DRD1 known ✓ P21728 2/20 0.80
SLC6A2 known ✓ P23975 2/20 0.80
HRH2 known ✓ P25021 2/20 0.80
HTR2A known ✓ P28223 2/20 0.80
HTR2C known ✓ P28335 2/20 0.80
SLC6A4 known ✓ P31645 2/20 0.80
ADRA1A known ✓ P35348 2/20 0.80
HRH1 known ✓ P35367 2/20 0.80
DRD3 known ✓ P35462 2/20 0.80
SCN1A known ✓ P35498 2/20 0.80
OPRK1 known ✓ P41145 2/20 0.80

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
SCHEMBL32690234 0.99 LMNA (0.81) LMNAMAPTSMN1; SMN2NPSR1USP2
SCHEMBL10168751 0.90 KIF11 (0.80) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL2560022 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL30390918 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL41634 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL1496274 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL41635 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL29860638 0.90 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL7194249 0.89 LMNA (0.98) LMNAMAPTSMN1; SMN2NPSR1USP2
Fluphenazine SCHEMBL29388890 0.89 LMNA (1.00) LMNAMAPTSMN1; SMN2NPSR1USP2

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-8193238-B2 Inhibition of microtubule protrusion in cancer cells UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-06-05 US disclosed
US-20090137473-A1 INHIBITION OF MICROTUBULE PROTRUSION IN CANCER CELLS UNIVERSITY OF MARYLAND, BALTIMORE 2009-05-28 US disclosed
EP-2001462-A2 INHIBITION OF MICROTUBULE PROTRUSION IN CANCER CELLS University of Maryland, Baltimore (US) 2008-12-17 EP disclosed
WO-2007104011-A2 INHIBITION OF MICROTUBULE PROTRUSION IN CANCER CELLS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2007-09-13 WO disclosed