Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4035931

C=C[n+]1ccccc1-c1ccccc1.C=C[n+]1ccccc1-c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
UHRF1 Q96T88 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NOTUM Q6P988 1/20 0.30

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 SCHEMBL4035925 0.98 KDM4E (0.32) KDM4EHTTSMN1; SMN2NPC1MAPK1
Dimethylamine SCHEMBL10340039 0.90 HDAC8 (0.33) KDM4EHTTSMN1; SMN2HDAC8SLC22A2
SCHEMBL6151660 0.82 CYP3A4 (0.40) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6152165 0.71 ALDH1A1 (0.43) KDM4ESMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL25724553 0.71 RAB9A (0.33) SMN1; SMN2NPC1RAB9AHDAC8MEN1
Hydrochloric Acid SCHEMBL585916 0.70 HDAC8 (0.39) KDM4ESMN1; SMN2NPC1RAB9AHDAC8
SCHEMBL1164410 0.67
Hydrochloric Acid SCHEMBL5604381 0.67 SLC22A2 (0.46) KDM4EHTTSMN1; SMN2NPC1MAPK1
Hydrochloric Acid SCHEMBL5688232 0.67 CALM1 (0.39) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29098366 0.65 HDAC8 (0.35) KDM4EHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010135-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'Oréal (FR) 2009-01-07 EP claimed
WO-2007080183-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'ORÉAL (FR) 2007-07-19 WO claimed