SCHEMBL9572018

SCHEMBL9572018

Cn1cc(C2=CC(=O)c3cccc(O)c3C2=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.62
BACE1 P56817 2/20 0.56
P4HB P07237 4/20 0.53
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 1/20 0.46
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAP2K7 O14733 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL9572014 0.83 PTPRC (0.78) PTPRCBACE1CCNT1CDK9CCNE2
SCHEMBL31194258 0.83 PTPRC (0.78) PTPRCBACE1CCNT1CDK9CCNE2
SCHEMBL9572025 0.78 PTPRC (0.74) PTPRCBACE1CCNT1CDK9CCNE2
SCHEMBL6237555 0.77 PTPRC (1.00) PTPRCCCNT1CDK9CCNE2CDK4
SCHEMBL9572021 0.73 PTPRC (0.60) PTPRCBACE1CCNT1CDK9CCNE2
SCHEMBL7716530 0.72 PTPRC (0.62) PTPRCCCNT1CDK9AURKAAURKB
SCHEMBL9562546 0.71 BACE1 (0.57) PTPRCBACE1P4HBAURKAAURKB
SCHEMBL10791127 0.70 PTPRC (0.62) PTPRCCCNT1CDK9CCNE2CDK4
SCHEMBL6098441 0.69 CCNT1 (0.57) PTPRCCCNT1CDK9CCNE2CDK4
SCHEMBL10436037 0.68 PTPRC (0.60) PTPRCCCNT1CDK9CCNE2CDK4

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-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