SCHEMBL7982263

SCHEMBL7982263

Cc1nc(-c2ccc3c(c2)/C(=C/c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)C(=O)N3)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.44
LRRK2 Q5S007 4/20 0.44
NOX4 Q9NPH5 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.42
GSK3B P49841 3/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
MMP12 P39900 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7982266 1.00 RAF1 (0.44) RAF1LRRK2NOX4PIK3C3GSK3B
SCHEMBL5774040 0.85 RAF1 (0.62) RAF1LRRK2PIK3C3MAPTNPC1
SCHEMBL5774037 0.85 RAF1 (0.62) RAF1LRRK2PIK3C3MAPTNPC1
SCHEMBL1395230 0.85 LRRK2 (0.62) RAF1LRRK2PIK3C3MAPTPOLB
SCHEMBL1395231 0.85 LRRK2 (0.62) RAF1LRRK2PIK3C3MAPTPOLB
SCHEMBL1394771 0.77 LRRK2 (0.51) RAF1LRRK2PIK3C3MAPTPOLB
SCHEMBL1394772 0.77 LRRK2 (0.51) RAF1LRRK2PIK3C3MAPTPOLB
SCHEMBL5080407 0.76 LRRK2 (0.67) RAF1LRRK2NOX4GSK3BEGFR
SCHEMBL1395025 0.76 LRRK2 (0.67) RAF1LRRK2NOX4GSK3BEGFR
SCHEMBL5771261 0.75 LRRK2 (0.59) RAF1LRRK2PIK3C3MAPTPOLB

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
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed