SCHEMBL7989495

SCHEMBL7989495

CCOc1ccc(C=C2C(=O)Nc3ccccc32)cc1-c1cccc(NC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.51
GSK3B P49841 3/20 0.49
PLK4 O00444 1/20 0.47
PLK1 P53350 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PDPK1 O15530 2/20 0.47
AKT2 P31751 1/20 0.47
ERBB2 P04626 1/20 0.46
DHFR P00374 1/20 0.45
ALK Q9UM73 2/20 0.44
NTRK3 Q16288 1/20 0.44
RET P07949 2/20 0.44
PIM1 P11309 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FLT3 P36888 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
SCHEMBL7989491 1.00 NOX4 (0.51) NOX4GSK3BPLK4PLK1LRRK2
SCHEMBL6388381 0.90 NOX4 (0.60) NOX4GSK3BPLK4PLK1LRRK2
SCHEMBL6388380 0.90 NOX4 (0.60) NOX4GSK3BPLK4PLK1LRRK2
SCHEMBL6390614 0.83 NOX4 (0.60) NOX4GSK3BLRRK2PDPK1AKT2
SCHEMBL6390621 0.83 NOX4 (0.60) NOX4GSK3BLRRK2PDPK1AKT2
SCHEMBL7717894 0.81 GSK3B (0.52) NOX4GSK3BLRRK2PDPK1AKT2
SCHEMBL14521220 0.79 NTRK3 (0.49) NOX4GSK3BPDPK1AKT2NTRK3
SCHEMBL6403898 0.79 ERBB2 (0.58) PLK4PLK1ERBB2DHFRALDH1A1
SCHEMBL6403896 0.79 ERBB2 (0.58) PLK4PLK1ERBB2DHFRALDH1A1
SCHEMBL6001502 0.76 LRRK2 (0.72) NOX4GSK3BPLK4PLK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed