SCHEMBL8151874

SCHEMBL8151874

CNC(=N)COc1cc(-n2ccccc2=O)ccc1-n1cc(CNC(=O)c2ccc(Cl)s2)nn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.46
MIF P14174 1/20 0.41
F2 P00734 1/20 0.40
F11 P03951 1/20 0.40

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
SCHEMBL8152778 0.91 F10 (0.47) F10
SCHEMBL1752477 0.91 F10 (0.49) F10
SCHEMBL1752601 0.90 F10 (0.48) F10
SCHEMBL1752464 0.90 F10 (0.49) F10MIFF2F11
SCHEMBL1752231 0.90 F10 (0.49) F10MIFF2F11
SCHEMBL1752189 0.89 F10 (0.48) F10
SCHEMBL1752041 0.89 F10 (0.51) F10
SCHEMBL8159917 0.88 F10 (0.44) F10
SCHEMBL1752536 0.88 F10 (0.47) F10
SCHEMBL1752233 0.88 F10 (0.49) F10

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
WO-2008086226-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed