SCHEMBL30752503

SCHEMBL30752503

O=c1cc(-c2cc(Cl)ccc2-n2cc(Cl)nn2)c2occc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 0.36
▸ KLKB1 P03952 14/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL30752484 0.87 F11 (0.38) F11KLKB1CYP3A4
SCHEMBL30752482 0.83 F11 (0.35) F11KLKB1CYP3A4
SCHEMBL30752477 0.75 F11 (0.41) F11KLKB1
SCHEMBL24633366 0.75 NOTUM (0.39) F11KLKB1CYP3A4
SCHEMBL31174105 0.75 NOTUM (0.39) F11KLKB1CYP3A4
SCHEMBL30752476 0.74 F11 (0.37) F11KLKB1CYP3A4
SCHEMBL29186014 0.74 F11 (0.37) F11KLKB1CYP3A4
SCHEMBL31174081 0.73 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL24633461 0.73 F11 (0.41) F11KLKB1CYP3A4
SCHEMBL24633361 0.71 F11 (0.41) 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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