SCHEMBL30452767

SCHEMBL30452767

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)s2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.54
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43
PIK3CA P42336 5/20 0.39
MTOR P42345 5/20 0.39
MERTK Q12866 1/20 0.38

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
SCHEMBL487710 1.00 MET (0.54) METL3MBTL3L3MBTL1JAK2MAP4K3
SCHEMBL30454688 0.86 MET (0.49) METJAK2MAP4K3
SCHEMBL487709 0.86 MET (0.49) METJAK2MAP4K3
SCHEMBL487992 0.86 MET (0.69) METJAK2MAP4K3MERTK
SCHEMBL30453468 0.86 MET (0.69) METJAK2MAP4K3MERTK
SCHEMBL488785 0.85 L3MBTL3 (0.45) METL3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL30453033 0.85 L3MBTL3 (0.45) METL3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL488047 0.84 MET (0.58) METL3MBTL3L3MBTL1JAK2MAP4K3
SCHEMBL30452813 0.84 MET (0.58) METL3MBTL3L3MBTL1JAK2MAP4K3
SCHEMBL488510 0.83 MET (0.77) METJAK2MAP4K3

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