SCHEMBL28746486

SCHEMBL28746486

Cc1nc(-c2cccc(Cl)c2F)n(CO)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
F11 P03951 13/20 0.43
NOTUM Q6P988 1/20 0.39
MDM2 Q00987 2/20 0.38
CTSA P10619 1/20 0.37

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
SCHEMBL29565437 1.00 KMO (0.44) KMOF11NOTUMMDM2CTSA
SCHEMBL29565504 0.86 MAPK1 (0.42) F11
SCHEMBL28746455 0.86 MAPK1 (0.42) F11
SCHEMBL29565445 0.83 F11 (0.52) KMOF11
SCHEMBL28746450 0.83 F11 (0.52) KMOF11
SCHEMBL29565531 0.80 KMO (0.44) KMOF11NOTUMMDM2CTSA
SCHEMBL28746448 0.80 KMO (0.44) KMOF11NOTUMMDM2CTSA
SCHEMBL29565489 0.73 F11 (0.48) F11
SCHEMBL28746474 0.73 MAPK1 (0.43) F11
SCHEMBL28746444 0.73 F11 (0.48) F11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN disclosed