SCHEMBL30453201

SCHEMBL30453201

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.64
MET P08581 7/20 0.62
JAK2 O60674 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47

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
SCHEMBL487982 1.00 MAP4K4 (0.64) MAP4K4METJAK2MAP4K3
SCHEMBL488594 0.94 MAP4K4 (0.61) MAP4K4METJAK2MAP4K3
SCHEMBL3122060 0.91 MET (0.62) MAP4K4METJAK2MAP4K3
SCHEMBL488121 0.89 MAP4K4 (0.54) MAP4K4METJAK2MAP4K3
SCHEMBL30453459 0.89 MAP4K4 (0.54) MAP4K4METJAK2MAP4K3
SCHEMBL488366 0.89 MET (0.59) MAP4K4METJAK2MAP4K3
SCHEMBL30454464 0.88 MAP4K4 (0.71) MAP4K4MET
SCHEMBL487688 0.88 MAP4K4 (0.71) MAP4K4MET
SCHEMBL487893 0.87 MET (0.65) MAP4K4MET
SCHEMBL30454009 0.87 MET (0.65) 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