SCHEMBL7479233

SCHEMBL7479233

CCc1ccc(CC=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.51
RET P07949 4/20 0.50
PDGFRB P09619 1/20 0.49
JAK3 P52333 1/20 0.49
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
NOX4 Q9NPH5 1/20 0.48
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 2/20 0.45
TGM2 P21980 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
SCHEMBL6001054 0.84 EGFR (0.64) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL6001051 0.84 EGFR (0.64) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL28411784 0.74 GSK3B (0.57) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL6001027 0.71 GSK3B (0.58) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL6001026 0.71 GSK3B (0.58) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL7420392 0.71 RET (0.69) GSK3BRETPDGFRBJAK3CAPN9
5-Nitroisatin SCHEMBL27856567 0.70 CAPN9 (0.85) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL3754352 0.69 NOX4 (0.67) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL3752053 0.69 NOX4 (0.70) GSK3BRETPDGFRBJAK3CAPN9
SCHEMBL5999635 0.69 PDGFRB (0.55) GSK3BRETPDGFRBJAK3CAPN9

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-0769947-A4 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 1998-09-30 EP disclosed
EP-0769947-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE Sugen, Inc. (US) 1997-05-02 EP disclosed
WO-1996040116-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN, INC. (US) 1996-12-19 WO disclosed