SCHEMBL9562597

SCHEMBL9562597

Cc1[nH]c2ccccc2c1C1=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.59
PTGS2 P35354 10/20 0.55
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
CCR6 P51684 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
IMPDH2 P12268 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46

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
SCHEMBL9572001 0.93 PTPRC (0.50) PTPRCPTGS2ESR1ESR2CCR6
SCHEMBL9561901 0.91 CCR6 (0.56) PTPRCCCR6HKDC1IMPDH2GAA
SCHEMBL9562400 0.91 PTPRC (0.68) PTPRCPTGS2ESR1ESR2
SCHEMBL9572013 0.88 PTPRC (0.65) PTPRCPTGS2ESR1ESR2
SCHEMBL29094061 0.86 PTGS2 (0.55) PTPRCPTGS2ESR1ESR2CCR6
SCHEMBL6252574 0.84 PTGS2 (0.53) PTPRCPTGS2ESR1ESR2CCR6
SCHEMBL7682255 0.84 CCR6 (0.57) PTPRCPTGS2ESR1ESR2CCR6
SCHEMBL9561922 0.82 CCR6 (0.51) PTPRCPTGS2CCR6HKDC1IMPDH2
SCHEMBL9572026 0.82 ALDH1A1 (0.60) PTPRCPTGS2ESR1ESR2
SCHEMBL9572023 0.81 MEN1 (0.51) PTPRCCCR6HKDC1IMPDH2

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