SCHEMBL4657906

SCHEMBL4657906

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
THRB P10828 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
HIF1A Q16665 3/20 0.63
HTT P42858 3/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 3/20 0.63
ALOX12 P18054 2/20 0.63
RECQL P46063 2/20 0.63
BLM P54132 2/20 0.63
CYP2D6 P10635 2/20 0.63
USP2 O75604 1/20 0.63
EGFR P00533 1/20 0.63
F2 P00734 1/20 0.63
GBA1 P04062 1/20 0.63

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 SCHEMBL4658148 0.96 MAPK1 (0.57) MAPK1MEN1KMT2ATHRBTDP1
SCHEMBL171207 0.86 TDP1 (0.79) MAPK1MEN1KMT2ATHRBTDP1
Iodide SCHEMBL31635600 0.85 TDP1 (0.77) MAPK1MEN1KMT2ATHRBTDP1
Hydrochloric Acid SCHEMBL2053249 0.85 TDP1 (0.82) MAPK1MEN1KMT2ATHRBTDP1
Hexamethyl Pararosaniline SCHEMBL94116 0.80 TDP1 (0.96) MAPK1MEN1KMT2ATHRBTDP1
SCHEMBL4656550 0.79 MEN1 (0.72) MAPK1MEN1KMT2ATHRBTDP1
Hydrochloric Acid SCHEMBL4656499 0.79 MEN1 (0.72) MAPK1MEN1KMT2ATHRBTDP1
Hexamethyl Pararosaniline SCHEMBL9171 0.79 TDP1 (1.00) MAPK1MEN1KMT2ATHRBTDP1
Brilliant Green SCHEMBL171205 0.78 TDP1 (0.84) MAPK1MEN1KMT2ATHRBTDP1
Brilliant Green SCHEMBL28216 0.76 TDP1 (0.88) MAPK1MEN1KMT2ATHRBTDP1

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 1 patent. 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