SCHEMBL4655635

SCHEMBL4655635

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccsc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.73
MAPK1 P28482 5/20 0.73
THRB P10828 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
CYP3A4 P08684 4/20 0.73
HIF1A Q16665 3/20 0.73
HTT P42858 3/20 0.73
TP53 P04637 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MAPT P10636 3/20 0.73
ALOX12 P18054 2/20 0.73
RECQL P46063 2/20 0.73
BLM P54132 2/20 0.73
CYP2D6 P10635 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
TSHR P16473 2/20 0.73
KDM4E B2RXH2 1/20 0.73
USP2 O75604 1/20 0.73
EGFR P00533 1/20 0.73

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 SCHEMBL4658176 0.99 TDP1 (0.76) TDP1MAPK1THRBMEN1KMT2A
Perchlorate SCHEMBL4658062 0.95 TDP1 (0.66) TDP1MAPK1THRBMEN1KMT2A
Perchlorate SCHEMBL4655655 0.94 TDP1 (0.64) TDP1MAPK1THRBMEN1KMT2A
Hexamethyl Pararosaniline SCHEMBL94116 0.87 TDP1 (0.96) TDP1MAPK1THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL4657185 0.86 THRB (0.54) TDP1MAPK1THRBMEN1KMT2A
Hexamethyl Pararosaniline SCHEMBL9171 0.85 TDP1 (1.00) TDP1MAPK1THRBMEN1KMT2A
SCHEMBL14310873 0.81 TDP1 (0.84) TDP1MAPK1THRBMEN1KMT2A
Brilliant Green SCHEMBL171205 0.81 TDP1 (0.84) TDP1MAPK1THRBMEN1KMT2A
SCHEMBL171347 0.80 MAPK1 (0.82) TDP1MAPK1THRBMEN1KMT2A
Brilliant Green SCHEMBL28216 0.80 TDP1 (0.88) TDP1MAPK1THRBMEN1KMT2A

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-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-A1 Composition for the dyeing of keratinous fibres comprising a direct colourant ofthe monoheteroyldiarylmethane type of a leuco precursor thereof and a dyeing process using it L'OREAL (FR) 2004-07-07 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
EP-1435227-A1 Composition for the dyeing of keratinous fibres comprising a direct colourant ofthe monoheteroyldiarylmethane type of a leuco precursor thereof and a dyeing process using it L'OREAL (FR) 2004-07-07 EP disclosed