SCHEMBL9561882

SCHEMBL9561882

O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)c2c(O)cccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.65
BACE1 P56817 3/20 0.65
P4HB P07237 2/20 0.49
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
PTGS2 P35354 4/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NSD2 O96028 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL9562546 0.85 BACE1 (0.57) PTPRCBACE1P4HBAURKAAURKB
SCHEMBL9562523 0.84 PTPRC (0.80) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL9562325 0.84 PTPRC (0.60) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL9562267 0.80 PTPRC (0.55) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL9562302 0.80 PTPRC (0.55) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL6232476 0.79 PTPRC (1.00) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL9562297 0.79 PTPRC (0.59) PTPRCBACE1ESR1ESR2PTGS2
SCHEMBL9572012 0.75 BACE1 (0.57) PTPRCBACE1P4HBAURKAMAPT
SCHEMBL7716516 0.75 PTPRC (0.64) PTPRCESR1ESR2PTGS2MAPT
SCHEMBL9562400 0.72 PTPRC (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP claimed
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP disclosed
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