SCHEMBL8159747

SCHEMBL8159747

COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(C3=NCCN3C)cc2F)c(S(N)(=O)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.71
▸ F2 P00734 3/20 0.51
▸ PRSS1 P07477 2/20 0.48
▸ PRSS2 P07478 2/20 0.48
▸ PRSS3 P35030 2/20 0.48

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
SCHEMBL8170479 0.94 F10 (0.80) F10F2
SCHEMBL8165869 0.89 F10 (0.88) F10
SCHEMBL8164430 0.89 F10 (0.60) F10
SCHEMBL8408044 0.88 F10 (0.72) F10F2
SCHEMBL8164518 0.83 F10 (1.00) F10
SCHEMBL8170411 0.83 F10 (0.63) F10F2
SCHEMBL8164228 0.82 F10 (1.00) F10
SCHEMBL8156939 0.80 F10 (0.83) F10
SCHEMBL8164435 0.80 F10 (0.68) F10
SCHEMBL8170984 0.80 F10 (0.70) F10

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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