SCHEMBL9572020

SCHEMBL9572020

Cn1cc(C2=C(C3=CC(=O)c4ccccc4C3=O)C=CCC2=S)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.53
CDK2 P24941 3/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
GSK3B P49841 5/20 0.40
PRKCA P17252 1/20 0.40
CCNA2 P20248 1/20 0.39

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 0.78 PTPRC (0.78) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL31194258 0.78 PTPRC (0.78) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572027 0.76 PTPRC (0.48) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572025 0.76 PTPRC (0.74) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572002 0.74 CCR6 (0.47) PTPRCGSK3BPRKCA
SCHEMBL6237555 0.70 PTPRC (1.00) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572021 0.69 PTPRC (0.60) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL28505491 0.66 CDK2 (0.60) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9571997 0.66 GSK3B (0.62) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572022 0.65 GSK3B (0.64) PTPRCCDK2CCNE2CDK4CCND1

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