SCHEMBL9562391

SCHEMBL9562391

Cc1c(C2=C(c3c(C)n(C)c4ccccc34)C(=O)c3ccccc3C2=O)c2ccccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
GSK3B P49841 1/20 0.48
NQO2 P16083 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GPR3 P46089 1/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK10 P53779 2/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44

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
SCHEMBL9561880 0.84 PTPRC (0.51) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9572008 0.83 APAF1 (0.45) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3852975 0.81 KDM4E (0.51) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9572015 0.81 RAB9A (0.43) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8992258 0.80 PTPRC (0.58) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9562520 0.80 NTRK1 (0.51) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18392178 0.79 KDM4E (0.61) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9572029 0.77 NPC1 (0.40) NTRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17698003 0.76 NTRK1 (0.66) NTRK1HSD17B10CYP2C19GPR3TDP1
SCHEMBL27353563 0.76 NTRK1 (0.76) NTRK1ALDH1A1KDM4EHSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP claimed
EP-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP disclosed