SCHEMBL8159555

SCHEMBL8159555

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.61
▸ F2 P00734 2/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ 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
SCHEMBL8170491 0.92 F10 (0.60) F10
SCHEMBL8159660 0.88 F10 (0.79) F10
SCHEMBL8405134 0.86 F10 (0.64) F10KCNH2
SCHEMBL8166003 0.86 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL8167211 0.86 F10 (0.62) F10KCNH2
SCHEMBL8163847 0.86 F10 (0.78) F10KCNH2
SCHEMBL8165979 0.85 F10 (0.63) F10KCNH2
SCHEMBL8159612 0.81 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164435 0.81 F10 (0.68) F10
SCHEMBL8159618 0.80 F10 (0.46) 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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