SCHEMBL5695388

SCHEMBL5695388

COc1ccc(C=C2Nc3ccc([N+](=O)[O-])cc3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.52
CASP3 P42574 1/20 0.52
SNCA P37840 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NOX4 Q9NPH5 1/20 0.46
MAPT P10636 4/20 0.46
APP P05067 2/20 0.46
RET P07949 2/20 0.46
GSK3B P49841 4/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL5695455 1.00 CAPN9 (0.52) CAPN9CASP3SNCACCNE1CDK2
SCHEMBL5695462 0.93 ALDH1A1 (0.50) CAPN9CASP3SNCAPTGS1PTGS2
SCHEMBL5695389 0.93 ALDH1A1 (0.50) CAPN9CASP3SNCAPTGS1PTGS2
SCHEMBL13080904 0.83 RET (0.67) SNCACCNE1CDK2NOX4MAPT
SCHEMBL1851095 0.83 RET (0.67) SNCACCNE1CDK2NOX4MAPT
SCHEMBL1851097 0.83 RET (0.67) SNCACCNE1CDK2NOX4MAPT
SCHEMBL5695414 0.77 MAPT (0.69) SNCAMAPTAPPGSK3BCLK1
SCHEMBL5695417 0.77 MAPT (0.69) SNCAMAPTAPPGSK3BCLK1
SCHEMBL3503220 0.73 MAPT (0.73) CASP3MAPTAPPALDH1A1SMN1; SMN2
SCHEMBL13973920 0.73 CAPN9 (0.58) CAPN9CASP3SNCACCNE1CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP disclosed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed