SCHEMBL9572014

SCHEMBL9572014

Cn1cc(C2=CC(=O)c3ccccc3C2=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.78
CDK2 P24941 2/20 0.51
CCNE2 O96020 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CCNT1 O60563 2/20 0.50
CDK9 P50750 2/20 0.50
BACE1 P56817 1/20 0.47
GSK3B P49841 3/20 0.47
PRKCA P17252 1/20 0.47
MEN1 O00255 1/20 0.46
PLIN1 O60240 1/20 0.46
NR1I2 O75469 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GSR P00390 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 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
SCHEMBL31194258 1.00 PTPRC (0.78) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572025 0.94 PTPRC (0.74) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL6237555 0.88 PTPRC (1.00) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572021 0.86 PTPRC (0.60) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572018 0.83 PTPRC (0.62) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL7716530 0.83 PTPRC (0.62) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL9572020 0.78 PTPRC (0.53) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL10791127 0.77 PTPRC (0.62) PTPRCCDK2CCNE2CDK4CCND1
SCHEMBL28336955 0.76 SIRT2 (0.55) PTPRCBACE1MEN1USP2ALDH1A1
SCHEMBL28336966 0.76 PTPRC (0.48) PTPRCBACE1GSK3BMEN1USP2

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
CN-110437124-B Preparation method of indoloquinone derivative 中国科学院成都有机化学有限公司 2020-12-22 CN disclosed
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