SCHEMBL8169448

SCHEMBL8169448

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 1.00
F2 P00734 6/20 0.70
PRSS1 P07477 4/20 0.70
PRSS2 P07478 4/20 0.70
PRSS3 P35030 4/20 0.70

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 0.90 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169475 0.90 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8158646 0.89 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8157551 0.87 F10 (1.00) F10
SCHEMBL8170306 0.83 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL7746996 0.83 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8162653 0.80 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165687 0.80 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8159253 0.80 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163822 0.79 F10 (0.87) 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