SCHEMBL9562297

SCHEMBL9562297

O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)c2c(O)c(-c3c(-c4ccccc4)[nH]c4ccccc34)cc(-c3c(-c4ccccc4)[nH]c4ccccc34)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.59
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
MAPT P10636 1/20 0.42
PTGS2 P35354 4/20 0.41
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SERPINE1 P05121 1/20 0.39
BACE1 P56817 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
MAP2 P11137 1/20 0.36
SRC P12931 1/20 0.36
CTRB1 P17538 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
SCHEMBL9562325 0.85 PTPRC (0.60) PTPRCESR1ESR2MAPTPTGS2
SCHEMBL9561882 0.79 PTPRC (0.65) PTPRCESR1ESR2MAPTPTGS2
SCHEMBL9562267 0.78 PTPRC (0.55) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9562302 0.78 PTPRC (0.55) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9562523 0.77 PTPRC (0.80) PTPRCESR1ESR2PTGS2HPGD
SCHEMBL6232476 0.75 PTPRC (1.00) PTPRCESR1ESR2PTGS2HPGD
SCHEMBL7716516 0.71 PTPRC (0.64) PTPRCESR1ESR2MAPTPTGS2
SCHEMBL7231941 0.70 ESR1 (0.62) PTPRCESR1ESR2MAPTPTGS2
SCHEMBL29094077 0.69 CCR6 (0.67) PTPRCESR1ESR2MAPTPTGS2
SCHEMBL6093878 0.69 PTPRC (0.54) PTPRCESR1ESR2MAPTPTGS2

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