SCHEMBL7720787

SCHEMBL7720787

C=CCN(CC=C)c1ccc(C2=CC(=O)c3ncccc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 6/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GUCY1B2 O75343 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GUCY1A2 P33402 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP2 O95551 3/20 0.39
NSD2 O96028 3/20 0.39
PAX8 Q06710 3/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
RIN1 Q13671 1/20 0.39
GAA P10253 1/20 0.39
CDC25B P30305 3/20 0.38

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
SCHEMBL7716534 0.91 PADI1 (0.44) S100A4MEN1KMT2ATDP1TDP2
SCHEMBL7721606 0.84 S100A4 (0.47) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7721587 0.82 S100A4 (0.50) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7721595 0.72 PADI1 (0.50) S100A4MEN1KMT2ATDP1MAPT
SCHEMBL7719613 0.72 S100A4 (0.50) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL10509896 0.70 KMT2A (0.58) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7720647 0.68 S100A4 (0.40) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7802156 0.68 S100A4 (0.40) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7720493 0.68 S100A4 (0.57) S100A4MEN1KMT2ATDP1GUCY1B2
SCHEMBL7721589 0.67 S100A4 (0.39) S100A4MEN1KMT2ATDP1GUCY1B2

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
US-6391064-B1 DYEING HAIR WITH AMINE QUINOLONE DERIVATIVES L'OREAL S.A. (FR) 2002-05-21 US disclosed
EP-0984010-B1 Use in hair dyes of quinolin-5,8-diones or quinoxalin-5,8-diones condensed with substituted pyrroles, anilines or indoles OREAL (FR) 2001-06-20 EP disclosed
EP-0984010-A1 Use in hair dyes of quinolin-5,8-diones or quinoxalin-5,8-diones condensed with substituted pyrroles, anilines or indoles L'OREAL (FR) 2000-03-08 EP disclosed