SCHEMBL5084400

SCHEMBL5084400

CNS(=O)(=O)c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.38
MET P08581 12/20 0.37
KDR P35968 12/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL15061682 0.90 HSPB1 (0.39) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3568638 0.89 HSPB1 (0.42) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL15241350 0.87 HSPB1 (0.42) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3565336 0.84 HSPB1 (0.38) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2602341 0.82 HSPB1 (0.45) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL306344 0.80 HSPB1 (0.45) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL108759 0.80 HSPB1 (0.45) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14230559 0.80 HSPB1 (0.45) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3568082 0.80 MET (0.51) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3573701 0.79 KDR (0.55) MAPTALDH1A1MAPK1L3MBTL1MET

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-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
EP-1781664-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2007-05-09 EP disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 WO disclosed