SCHEMBL1823957

SCHEMBL1823957

O=Cc1ccc(NCCSSCCNc2ccc(C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
CYP2A6 P11509 4/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
APP P05067 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A3 P47895 2/20 0.35
ALDH3A1 P30838 1/20 0.35
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2A13 Q16696 1/20 0.33
GAA P10253 1/20 0.32
DRD1 P21728 2/20 0.32

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
SCHEMBL1825941 0.78 ALDH5A1 (0.43) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL5534383 0.78 ALDH1A1 (0.45) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL12432958 0.78 APP (0.44) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL14423965 0.76 CYP2A6 (0.44) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL21232552 0.76 MAPT (0.40) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL8651569 0.74 ALDH1A1 (0.43) ALDH1A1ALDH5A1ABATMAPTKDM4E
Dimethylamine SCHEMBL5736373 0.74 ALDH1A1 (0.42) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL5493605 0.74 LMNA (0.43) ALDH1A1CYP2A6MAPTALDH1A3ALDH3A1
SCHEMBL12451481 0.73 PRSS1 (0.42) ALDH1A1APPMAPT
SCHEMBL22641731 0.73 DRD1 (0.44) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT

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
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed
EP-2004756-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2008-12-24 EP disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed