SCHEMBL8406109

SCHEMBL8406109

O=C(Nc1ccc(-c2ccccc2S)cc1)c1cc(C(F)(F)F)nn1-c1cc2ccccc2cc1F

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.76
F2 P00734 8/20 0.55
PRSS1 P07477 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
KLKB1 P03952 1/20 0.49

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
SCHEMBL8404439 0.89 F10 (0.68) F10F2PRSS1KLKB1
SCHEMBL8158194 0.86 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170306 0.86 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169270 0.80 F10 (0.81) F10F2KLKB1
SCHEMBL8163632 0.79 F10 (0.80) F10
SCHEMBL8166112 0.78 F10 (0.81) F10
SCHEMBL8158231 0.77 F10 (0.81) F10
SCHEMBL8163627 0.76 F10 (0.80) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165499 0.76 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL6769780 0.75 F10 (0.55) F10KLKB1

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