SCHEMBL8159074

SCHEMBL8159074

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.69
F2 P00734 9/20 0.69
PRSS1 P07477 5/20 0.51
PRSS2 P07478 5/20 0.51
PRSS3 P35030 5/20 0.51
F9 P00740 2/20 0.49
PROC P04070 2/20 0.49
KLK1 P06870 1/20 0.49
KLKB1 P03952 1/20 0.48
CFH P08603 1/20 0.48

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
SCHEMBL8166664 0.95 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166259 0.92 F10 (0.68) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165648 0.92 F10 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170138 0.92 F10 (0.75) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166779 0.89 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165941 0.86 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166044 0.86 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166221 0.84 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8159368 0.84 F10 (0.73) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165136 0.83 F10 (0.85) 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