SCHEMBL8166705

SCHEMBL8166705

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
F2 P00734 5/20 0.66
PRSS1 P07477 1/20 0.51

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
SCHEMBL8158998 0.92 F10 (0.70) F10F2PRSS1
SCHEMBL8166044 0.91 F10 (0.70) F10F2PRSS1
SCHEMBL8165941 0.90 F10 (0.78) F10F2PRSS1
SCHEMBL8165972 0.89 F10 (0.68) F10F2PRSS1
SCHEMBL8166019 0.87 F10 (0.69) F10F2PRSS1
SCHEMBL8170138 0.86 F10 (0.75) F10F2PRSS1
SCHEMBL8159368 0.85 F10 (0.73) F10F2PRSS1
SCHEMBL8166221 0.85 F10 (0.78) F10F2PRSS1
SCHEMBL8162813 0.81 F10 (1.00) F10F2PRSS1
SCHEMBL8166664 0.81 F10 (0.71) F10F2PRSS1

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed