SCHEMBL9561880

SCHEMBL9561880

Cc1c(C2=C(c3c(-c4ccccc4)[nH]c4ccccc34)C(=O)c3ccccc3C2=O)c2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.51
GSK3B P49841 1/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
PTGS2 P35354 5/20 0.44
NTRK1 P04629 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL9562391 0.84 NTRK1 (0.54) GSK3BNTRK1HSD17B10GAALMNA
SCHEMBL9562400 0.83 PTPRC (0.68) PTPRCESR1ESR2PTGS2LMNA
SCHEMBL9562597 0.81 PTPRC (0.59) PTPRCESR1ESR2PTGS2GAA
SCHEMBL9572013 0.80 PTPRC (0.65) PTPRCESR1ESR2PTGS2LMNA
SCHEMBL7239290 0.75 GAA (0.45) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL9572026 0.75 ALDH1A1 (0.60) PTPRCESR1ESR2PTGS2LMNA
SCHEMBL9572001 0.74 PTPRC (0.50) PTPRCESR1ESR2PTGS2HSD17B10
SCHEMBL29634190 0.72 KMT2A (0.54) GSK3BHSD17B10GAALMNAKMT2A
SCHEMBL26168119 0.72 KMT2A (0.54) GSK3BHSD17B10GAALMNAKMT2A
SCHEMBL9561901 0.72 CCR6 (0.56) PTPRCHSD17B10GAALMNAKMT2A

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