SCHEMBL24633366

SCHEMBL24633366

O=c1cc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)c(Cl)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ F11 P03951 18/20 0.38
▸ KLKB1 P03952 16/20 0.38
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL31174105 1.00 NOTUM (0.39) NOTUMF11KLKB1CYP3A4
SCHEMBL31174081 0.88 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL24633461 0.88 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL29227909 0.87 NOTUM (0.39) NOTUMF11KLKB1
SCHEMBL24633361 0.86 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL24633487 0.85 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL30995020 0.85 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL21357358 0.85 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL29479321 0.85 F11 (0.49) F11KLKB1CYP3A4
SCHEMBL30325601 0.82 F11 (0.43) 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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