SCHEMBL8166003

SCHEMBL8166003

COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(C(=N)N3CCC3)cc2)c(S(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.60
▸ KCNH2 Q12809 1/20 0.58
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 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
SCHEMBL8167211 0.98 F10 (0.62) F10KCNH2
SCHEMBL8165979 0.97 F10 (0.63) F10KCNH2
SCHEMBL8166644 0.93 KCNH2 (0.57) F10KCNH2
SCHEMBL8171351 0.92 KCNH2 (0.59) F10KCNH2
SCHEMBL8159704 0.91 KCNH2 (0.58) F10KCNH2
SCHEMBL8166537 0.89 F10 (0.77) F10
SCHEMBL8406118 0.88 KCNH2 (0.60) F10KCNH2
SCHEMBL8159663 0.87 F10 (0.80) F10
SCHEMBL8171224 0.86 F10 (0.80) F10
SCHEMBL8408304 0.86 KCNH2 (0.62) 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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