SCHEMBL31010491

SCHEMBL31010491

COc1cnc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.42
▸ KLKB1 P03952 19/20 0.42
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL29186018 0.83 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30752472 0.83 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30995028 0.78 F11 (0.47) F11KLKB1CYP3A4
SCHEMBL29227906 0.78 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30994984 0.78 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29186015 0.77 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30752469 0.77 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30995027 0.77 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL21357425 0.77 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL29479366 0.77 F11 (0.48) F11KLKB1CYP3A4

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
CN-118406037-A Triazole derivative and preparation method and application thereof 四川师范大学 2024-07-30 — — CN disclosed
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