SCHEMBL8158646

SCHEMBL8158646

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.80
F2 P00734 10/20 0.72
PRSS1 P07477 7/20 0.72
PRSS2 P07478 6/20 0.72
PRSS3 P35030 6/20 0.72
PROC P04070 4/20 0.67
KLKB1 P03952 2/20 0.67
F9 P00740 3/20 0.63
PLAU P00749 1/20 0.63
CTRB1 P17538 1/20 0.63
KLK1 P06870 1/20 0.62
CFH P08603 1/20 0.62

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
SCHEMBL8169463 0.93 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168825 0.89 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169448 0.89 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169475 0.87 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165499 0.86 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL13550922 0.84 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165148 0.82 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166221 0.82 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8158181 0.82 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169765 0.81 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