SCHEMBL9562325

SCHEMBL9562325

O=C1C(c2c(-c3ccccc3)[nH]c3ccccc23)=CC(=O)c2c(-c3c(-c4ccccc4)[nH]c4ccccc34)ccc(O)c21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.60
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
PTGS2 P35354 8/20 0.44
BACE1 P56817 2/20 0.44
MAPT P10636 1/20 0.40
NSD2 O96028 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 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
SCHEMBL9562302 0.92 PTPRC (0.55) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9562267 0.92 PTPRC (0.55) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9562297 0.85 PTPRC (0.59) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9561882 0.84 PTPRC (0.65) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL9561883 0.82 HKDC1 (0.52) PTPRCBACE1MAPTNSD2OPRM1
SCHEMBL9562523 0.78 PTPRC (0.80) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL6232476 0.76 PTPRC (1.00) PTPRCESR1ESR2PTGS2BACE1
SCHEMBL7716516 0.71 PTPRC (0.64) PTPRCESR1ESR2PTGS2MAPT
SCHEMBL10881204 0.71 BACE1 (0.68) PTPRCBACE1MAPTNSD2OPRM1
SCHEMBL7231941 0.70 ESR1 (0.62) PTPRCESR1ESR2PTGS2MAPT

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