SCHEMBL8164458

SCHEMBL8164458

Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2Br)n(-c2cc3ccccc3cc2C(=O)O)n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.79
▸ F2 P00734 1/20 0.64
▸ PRSS1 P07477 1/20 0.64
▸ PRSS2 P07478 1/20 0.64
▸ PRSS3 P35030 1/20 0.64

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
SCHEMBL8168928 0.93 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169081 0.92 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168344 0.91 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8162836 0.90 F10 (0.87) F10F2PRSS1PRSS2PRSS3
SCHEMBL8156974 0.89 F10 (0.85) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164474 0.88 F10 (1.00) F10
SCHEMBL8164355 0.87 F10 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163228 0.85 F10 (0.84) F10F2PRSS1PRSS2PRSS3
SCHEMBL8168894 0.85 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8156933 0.84 F10 (0.82) 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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