SCHEMBL8169948

SCHEMBL8169948

NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cnnn2-c2ccc3ccccc3c2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.67
▸ F2 P00734 9/20 0.57
▸ PRSS1 P07477 7/20 0.57
▸ PRSS2 P07478 6/20 0.57
▸ PRSS3 P35030 6/20 0.57
▸ KLKB1 P03952 1/20 0.53
▸ PROC P04070 1/20 0.53

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
SCHEMBL8170828 0.86 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165941 0.85 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169765 0.81 F10 (0.85) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170138 0.80 F10 (0.75) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164807 0.80 F10 (0.83) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168825 0.80 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8159368 0.79 F10 (0.73) F10F2PRSS1PRSS2PRSS3
SCHEMBL8166221 0.79 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL27518385 0.79 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL8158646 0.79 F10 (0.80) 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
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