SCHEMBL28746450

SCHEMBL28746450

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

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.52
KMO O15229 2/20 0.47
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29565445 1.00 F11 (0.52) F11KMOCYP1A2
SCHEMBL28746453 0.86 LMNA (0.51) F11CYP1A2
SCHEMBL29565489 0.84 F11 (0.48) F11CYP1A2
SCHEMBL28746444 0.84 F11 (0.48) F11CYP1A2
SCHEMBL29565437 0.83 KMO (0.44) F11KMO
SCHEMBL29565531 0.83 KMO (0.44) F11KMO
SCHEMBL28746448 0.83 KMO (0.44) F11KMO
SCHEMBL28746486 0.83 KMO (0.44) F11KMO
SCHEMBL29565494 0.72 F11 (0.66) F11CYP1A2
SCHEMBL28746452 0.71 CYP1A2 (0.58) F11CYP1A2

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