SCHEMBL8170306

SCHEMBL8170306

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 6/20 0.74
PRSS1 P07477 3/20 0.67
PRSS2 P07478 2/20 0.67
PRSS3 P35030 2/20 0.67
KLKB1 P03952 1/20 0.63
PROC P04070 1/20 0.63

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
SCHEMBL8158194 0.91 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165499 0.90 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164801 0.89 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168536 0.88 F10 (1.00) F10
SCHEMBL8158181 0.88 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8406109 0.86 F10 (0.76) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169448 0.83 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163627 0.81 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL7746996 0.80 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163861 0.80 F10 (1.00) F10

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