SCHEMBL7421997

SCHEMBL7421997

Cc1c(S)csc1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.54
PDGFRB P09619 1/20 0.54
JAK3 P52333 1/20 0.54
NOX4 Q9NPH5 1/20 0.53
RET P07949 4/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
CAPN9 O14815 1/20 0.48
CASP3 P42574 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
APP P05067 2/20 0.45
MAPT P10636 2/20 0.45
SNCA P37840 2/20 0.45

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
SCHEMBL5999640 0.83 GSK3B (0.55) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL5999631 0.83 GSK3B (0.55) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL6001540 0.81 NOX4 (0.58) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL5999641 0.81 NOX4 (0.58) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL3752053 0.76 NOX4 (0.70) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL6001027 0.75 GSK3B (0.58) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL6001026 0.75 GSK3B (0.58) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL3751525 0.74 PDGFRB (0.62) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL3751522 0.74 PDGFRB (0.62) GSK3BPDGFRBJAK3NOX4RET
SCHEMBL6001461 0.73 CCNE1 (0.74) GSK3BPDGFRBJAK3NOX4RET

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