SCHEMBL4655632

SCHEMBL4655632

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
TDP1 Q9NUW8 5/20 0.69
THRB P10828 4/20 0.69
MAPK1 P28482 4/20 0.69
HTT P42858 4/20 0.69
HIF1A Q16665 3/20 0.69
TP53 P04637 3/20 0.69
CYP3A4 P08684 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MAPT P10636 3/20 0.69
ALOX12 P18054 2/20 0.69
RECQL P46063 2/20 0.69
BLM P54132 2/20 0.69
CYP2D6 P10635 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
OPRM1 P35372 2/20 0.69
KDM4E B2RXH2 1/20 0.69
USP2 O75604 1/20 0.69
EGFR P00533 1/20 0.69

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
Perchlorate SCHEMBL4655731 0.95 MEN1 (0.63) MEN1KMT2ATDP1THRBMAPK1
Hexamethyl Pararosaniline SCHEMBL94116 0.84 TDP1 (0.96) MEN1KMT2ATDP1THRBMAPK1
Hexamethyl Pararosaniline SCHEMBL9171 0.83 TDP1 (1.00) MEN1KMT2ATDP1THRBMAPK1
Brilliant Green SCHEMBL171205 0.82 TDP1 (0.84) MEN1KMT2ATDP1THRBMAPK1
Brilliant Green SCHEMBL28216 0.80 TDP1 (0.88) MEN1KMT2ATDP1THRBMAPK1
SCHEMBL4655638 0.79 MAPT (0.85) MEN1KMT2ATDP1THRBMAPK1
SCHEMBL14310873 0.79 TDP1 (0.84) MEN1KMT2ATDP1THRBMAPK1
SCHEMBL4655635 0.78 TDP1 (0.73) MEN1KMT2ATDP1THRBMAPK1
SCHEMBL171347 0.77 MAPK1 (0.82) MEN1KMT2ATDP1THRBMAPK1
Hydrochloric Acid SCHEMBL4658176 0.77 TDP1 (0.76) MEN1KMT2ATDP1THRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435227-B1 Composition for the dyeing of keratinous fibres comprising a direct dye of the monoheteroyldiarylmethane type or a leuco precursor thereof and a dyeing process using it OREAL (FR) 2008-12-03 EP claimed
EP-1435227-B1 Composition for the dyeing of keratinous fibres comprising a direct dye of the monoheteroyldiarylmethane type or a leuco precursor thereof and a dyeing process using it OREAL (FR) 2008-12-03 EP disclosed
US-7211117-B2 Composition for dyeing keratin fibers comprising at least one dye chosen from monoheteroyldiarylmethane direct dyes and the leuco precursors thereof and dyeing method using it L'OREAL S.A. (FR) 2007-05-01 US disclosed