SCHEMBL5202836

SCHEMBL5202836

O=C(O)CC(NC(=O)c1ccc(CCl)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ROCK1 Q13464 5/20 0.48
GSK3B P49841 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
ROCK2 O75116 3/20 0.48
RPS6KA5 O75582 3/20 0.48
AKT1 P31749 3/20 0.48
NEK4 P51957 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKG2 Q13237 3/20 0.48
PRKG1 Q13976 3/20 0.48
PKN2 Q16513 3/20 0.48
GSK3A P49840 3/20 0.48
MAPK13 O15264 2/20 0.48
MAP4K4 O95819 2/20 0.48

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
SCHEMBL3717471 0.86 MEN1 (0.61) KDM4EGAAITGB3ITGA2BMEN1
SCHEMBL5027698 0.86 MEN1 (0.61) KDM4EGAAITGB3ITGA2BMEN1
SCHEMBL22995641 0.86 MEN1 (0.61) KDM4EGAAITGB3ITGA2BMEN1
SCHEMBL9830762 0.82 KDM4E (0.55) KDM4EGAAITGB3ITGA2BMEN1
SCHEMBL29157147 0.82 LMNA (0.58) KDM4EGAAMEN1KMT2AROCK1
SCHEMBL7822835 0.79 KDM4E (0.67) KDM4EGAAITGB3ITGA2BCTSA
SCHEMBL17313721 0.79 KDM4E (0.51) KDM4EGAAITGB3ITGA2BMEN1
SCHEMBL3995786 0.79 TAOK1 (0.59) ROCK1GSK3BCLK4ROCK2RPS6KA5
SCHEMBL2850903 0.78 NPC1 (0.57) KDM4EGAAITGB3MEN1KMT2A
SCHEMBL27761114 0.78 CTSA (0.62) ROCK1GSK3BCLK4ROCK2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 EP disclosed
EP-1135374-B1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2006-09-06 EP disclosed
EP-1135374-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-09-26 EP disclosed
US-6204282-B1 TREATING CANCER, RETINOPATHY, ATHEROSCLEROSIS, VASCULAR RESTENOSIS, OR OSTEOPOROSIS. SCHERING CORPORATION 2001-03-20 US disclosed
WO-2000032578-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-06-08 WO disclosed