SCHEMBL4417487

SCHEMBL4417487

O=C(Cn1nc(OC(=O)Nc2ccc(N3CCOCC3=O)cc2)c2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.49
PTGS2 P35354 4/20 0.42

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
SCHEMBL4419437 0.89 F10 (0.47) F10
SCHEMBL4419134 0.84 FLT3 (0.42) F10
SCHEMBL3372955 0.82 F10 (0.50) F10PTGS2
SCHEMBL4414347 0.82 F10 (0.43) F10
SCHEMBL4415800 0.79 ALDH1A1 (0.49) F10
SCHEMBL1378964 0.77 F10 (0.66) F10PTGS2
SCHEMBL3370292 0.76 F10 (0.49) F10PTGS2
SCHEMBL3372855 0.74 F10 (0.50) F10PTGS2
SCHEMBL5463145 0.73 F10 (0.52) F10PTGS2
SCHEMBL5463137 0.73 F10 (0.52) F10PTGS2

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
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed