SCHEMBL8163627

SCHEMBL8163627

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.80
F2 P00734 8/20 0.77
PRSS1 P07477 5/20 0.70
PRSS2 P07478 4/20 0.70
PRSS3 P35030 4/20 0.70
PROC P04070 4/20 0.70
F9 P00740 3/20 0.70
KLK1 P06870 1/20 0.70
KLKB1 P03952 2/20 0.69
CFH P08603 1/20 0.69
PLAU P00749 1/20 0.65
CTRB1 P17538 1/20 0.65

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
SCHEMBL8165499 0.92 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8158194 0.90 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165396 0.89 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL4350425 0.87 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8404439 0.87 F10 (0.68) F10F2PRSS1PROCKLKB1
SCHEMBL5100150 0.86 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL5097161 0.86 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL14176283 0.85 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8158181 0.84 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169824 0.83 F10 (1.00) 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