SCHEMBL8157142

SCHEMBL8157142

Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Cl)n(-c2ccc3cc(Br)ccc3c2)n1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.78
F2 P00734 3/20 0.70
PRSS1 P07477 3/20 0.70
PRSS2 P07478 3/20 0.70
PRSS3 P35030 3/20 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
SCHEMBL8164829 0.93 F10 (0.81) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164807 0.91 F10 (0.83) F10F2PRSS1PRSS2PRSS3
SCHEMBL8157126 0.88 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163231 0.85 F10 (0.82) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163233 0.85 F10 (0.82) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164401 0.84 F10 (0.90) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168825 0.84 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8167801 0.83 F10 (0.86) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164548 0.82 F10 (0.83) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169765 0.82 F10 (0.85) 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