SCHEMBL30752469

SCHEMBL30752469

COc1n[nH]c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.43
▸ KLKB1 P03952 19/20 0.43
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL29186015 1.00 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL29479321 0.80 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL21357358 0.80 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL30616076 0.80 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL29186018 0.79 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30752472 0.79 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL31010491 0.77 F11 (0.42) F11KLKB1CYP3A4
SCHEMBL30995027 0.76 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30995039 0.75 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL29228002 0.75 F11 (0.40) 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-117586284-A Macrocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-02-23 — — CN disclosed
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