SCHEMBL8159368

SCHEMBL8159368

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Br)ccc3c2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.73
F2 P00734 10/20 0.69
PRSS1 P07477 3/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53

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
SCHEMBL8165941 0.93 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166259 0.92 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170138 0.92 F10 (0.75) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166221 0.90 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166242 0.88 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166664 0.85 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166705 0.85 F10 (0.70) F10F2PRSS1
SCHEMBL8159074 0.84 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164807 0.83 F10 (0.83) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165648 0.82 F10 (0.72) F10F2PRSS1PRSS2PRSS3

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