SCHEMBL7716534

SCHEMBL7716534

C=CCN(CC=C)c1ccc(C2=CC(=O)c3cccnc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 2/20 0.44
PADI3 Q9ULW8 2/20 0.44
PADI4 Q9UM07 2/20 0.44
PADI2 Q9Y2J8 2/20 0.44
TGM2 P21980 1/20 0.44
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S100A4 P26447 6/20 0.38
CDC25B P30305 4/20 0.38
TDP2 O95551 5/20 0.36
G6PD P11413 2/20 0.36
NSD2 O96028 4/20 0.36
PAX8 Q06710 3/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL7720787 0.91 S100A4 (0.44) PADI1PADI3PADI4PADI2TGM2
SCHEMBL7721595 0.82 PADI1 (0.50) PADI1PADI3PADI4PADI2TGM2
SCHEMBL7721606 0.74 S100A4 (0.47) PADI1PADI3PADI4PADI2TGM2
SCHEMBL7721587 0.72 S100A4 (0.50) PADI1PADI3PADI4PADI2TGM2
SCHEMBL6692403 0.66 CHKA (0.46) GAA
SCHEMBL21801777 0.65 PADI1 (0.64) PADI1PADI3PADI4PADI2TGM2
SCHEMBL7651620 0.65 PADI1 (0.58) PADI1PADI3PADI4PADI2TGM2
SCHEMBL6688709 0.65 BACE1 (0.60) MEN1THRBBLMKMT2ATDP1
SCHEMBL7721594 0.64 PADI1 (0.50) PADI1PADI3PADI4PADI2TGM2
SCHEMBL851567 0.64 CHKA (0.50) TDP1GAA

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