SCHEMBL30454601

SCHEMBL30454601

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.62
MET P08581 7/20 0.49
FEN1 P39748 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
SCHEMBL487894 1.00 MAP4K4 (0.62) MAP4K4METFEN1
SCHEMBL30453475 0.85 MAP4K4 (0.69) MAP4K4MET
SCHEMBL488215 0.85 MAP4K4 (0.69) MAP4K4MET
SCHEMBL487688 0.84 MAP4K4 (0.71) MAP4K4METFEN1
SCHEMBL30454464 0.84 MAP4K4 (0.71) MAP4K4METFEN1
SCHEMBL488288 0.84 KCNH2 (0.56) MAP4K4MET
SCHEMBL30454652 0.84 KCNH2 (0.56) MAP4K4MET
SCHEMBL488207 0.82 MET (0.56) MAP4K4MET
SCHEMBL30453281 0.82 MET (0.56) MAP4K4MET
SCHEMBL10215501 0.82 MET (0.56) MAP4K4MET

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed