SCHEMBL24633476

SCHEMBL24633476

COc1c[nH]c(=O)nc1-c1cc(Cl)ccc1-n1cc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.46
▸ KLKB1 P03952 19/20 0.46
▸ CYP3A4 P08684 2/20 0.45

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
SCHEMBL21357358 0.83 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL29479321 0.83 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL24633472 0.82 F11 (0.48) F11KLKB1CYP3A4
SCHEMBL24633475 0.78 F11 (0.45) F11KLKB1CYP3A4
SCHEMBL30995027 0.76 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30325601 0.76 F11 (0.43) F11KLKB1CYP3A4
SCHEMBL30656620 0.72 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL29089481 0.72 F11 (0.40) F11KLKB1CYP3A4
SCHEMBL28514409 0.72 F11 (0.45) F11KLKB1CYP3A4
SCHEMBL30995028 0.72 F11 (0.47) 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
WO-2022222960-A1 FXIA INHIBITOR AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND USE THEREOF 上海美悦生物科技发展有限公司 2022-10-27 — — WO disclosed
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