SCHEMBL8405134

SCHEMBL8405134

COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(C(=N)N(C)C)cc2)c(S)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.64
▸ KCNH2 Q12809 1/20 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
SCHEMBL8159555 0.86 F10 (0.61) F10KCNH2
SCHEMBL8170491 0.86 F10 (0.60) F10
SCHEMBL8408304 0.85 KCNH2 (0.62) F10KCNH2
SCHEMBL8406118 0.85 KCNH2 (0.60) F10KCNH2
SCHEMBL8409398 0.84 KCNH2 (0.61) F10KCNH2
SCHEMBL8404492 0.81 F10 (0.44) F10KCNH2
SCHEMBL8406120 0.79 F10 (0.55) F10
SCHEMBL8164095 0.78 F10 (1.00) F10
SCHEMBL8163847 0.75 F10 (0.78) F10KCNH2
SCHEMBL8159660 0.75 F10 (0.79) 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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