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SCHEMBL5796495

SCHEMBL5796495

NC(=O)Oc1cc2cccc(Oc3ccc(Nc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)cc3)c2o1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 12/20 0.41
▸ ALOX5 P09917 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRAF P15056 5/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ KDR P35968 2/20 0.35

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
SCHEMBL5793120 0.91 PTGES (0.36) PTGESALOX5BRAFRAF1KDR
SCHEMBL5444078 0.90 PTGES (0.41) PTGESALOX5SMN1; SMN2BRAFRAF1
SCHEMBL5452321 0.80 ALDH1A1 (0.40) PTGESSMN1; SMN2BRAFRAF1KDR
SCHEMBL5796233 0.80 BRAF (0.36) PTGESBRAFRAF1KDR
SCHEMBL5457054 0.77 KDR (0.41) PTGESALOX5BRAFRAF1KDR
SCHEMBL5450819 0.77 PTGES (0.45) PTGESALOX5BRAFRAF1KDR
SCHEMBL5464243 0.77 PTGES (0.40) PTGESALOX5BRAFRAF1KDR
SCHEMBL5454834 0.74 MAPT (0.39) PTGESSMN1; SMN2BRAFRAF1KDR
SCHEMBL5457027 0.74 CBFB (0.38) PTGESBRAFRAF1KDR
SCHEMBL5796359 0.73 PTGES (0.40) PTGESALOX5BRAFRAF1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656377-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2006-05-17 — — EP claimed
WO-2005019216-A1 AMINOBENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-03 — — WO claimed