Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8620363

CNc1ccc(NCCCN)c2c1C(=O)c1ccccc1C2=O.Cl

nearest known ligand 0.54

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
TOP2B known ✓ Q02880 1/20 0.54
EGFR known ✓ P00533 2/20 0.50
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
BLM P54132 2/20 0.51
KMT2A Q03164 2/20 0.51
NSD2 O96028 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PABPC1 P11940 1/20 0.50
NPC1 O15118 1/20 0.48
MTOR P42345 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
IDO1 P14902 1/20 0.44
TERT O14746 2/20 0.44

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
SCHEMBL111327 0.99 TOP2B (0.55) TOP2BMEN1POLBBLMKMT2A
SCHEMBL12658893 0.93 TOP2B (0.52) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8603851 0.91 TOP2B (0.62) TOP2BMEN1POLBBLMKMT2A
SCHEMBL11485540 0.90 MEN1 (0.55) TOP2BMEN1POLBBLMKMT2A
SCHEMBL23787768 0.85 MEN1 (0.54) TOP2BMEN1POLBBLMKMT2A
SCHEMBL11310247 0.85 MEN1 (0.54) TOP2BMEN1POLBBLMKMT2A
SCHEMBL16344394 0.85 TOP2B (0.64) TOP2BMEN1POLBBLMKMT2A
SCHEMBL20710632 0.84 TOP2B (0.62) TOP2BMEN1POLBBLMKMT2A
SCHEMBL23787802 0.84 MEN1 (0.52) TOP2BMEN1POLBBLMKMT2A
SCHEMBL16343809 0.84 TOP2B (0.70) TOP2BMEN1POLBBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5711765-A TREATMENT OF HAIR AND DYES WUTH WATER VAPOR L'OREAL (FR) 1998-01-27 US disclosed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 US disclosed
US-4445521-A ANIONIC AND CATIONIC POLYMER COMBINATION L'OREAL (FR) 1984-05-01 US disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US disclosed
US-4240450-A HAIR CONDITIONER OF ANIONIC POLYMERS AND CATIONIC POLYMERS L'OREAL (FR) 1980-12-23 US disclosed
US-4185958-A HAIR DYES BUGAUT ANDREE 1980-01-29 US disclosed