SCHEMBL8408044

SCHEMBL8408044

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

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.72
▸ KCNH2 Q12809 1/20 0.48
▸ F2 P00734 2/20 0.44

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
SCHEMBL8406120 0.88 F10 (0.55) F10F2
SCHEMBL8159747 0.88 F10 (0.71) F10F2
SCHEMBL8170479 0.88 F10 (0.80) F10F2
SCHEMBL8164228 0.84 F10 (1.00) F10KCNH2
SCHEMBL8156939 0.81 F10 (0.83) F10KCNH2
SCHEMBL8168206 0.80 F10 (0.82) F10KCNH2
SCHEMBL8164518 0.80 F10 (1.00) F10
SCHEMBL8165869 0.80 F10 (0.88) F10
SCHEMBL8163860 0.79 F10 (0.85) F10F2
SCHEMBL8408129 0.78 F10 (0.72) F10KCNH2

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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