SCHEMBL30454757

SCHEMBL30454757

CC(C)Oc1c(F)cccc1COc1cc(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.60
MAP4K4 O95819 1/20 0.41
MAP4K3 Q8IVH8 3/20 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
SCHEMBL487754 1.00 MET (0.60) METMAP4K4MAP4K3
SCHEMBL30452782 0.91 MET (0.56) METMAP4K4MAP4K3
SCHEMBL488693 0.91 MET (0.56) METMAP4K4MAP4K3
SCHEMBL10218191 0.89 MET (0.58) METMAP4K4MAP4K3
SCHEMBL30453012 0.86 MET (0.61) METMAP4K4MAP4K3
SCHEMBL488769 0.86 MET (0.61) METMAP4K4MAP4K3
SCHEMBL10215501 0.86 MET (0.56) METMAP4K4MAP4K3
SCHEMBL488207 0.86 MET (0.56) METMAP4K4MAP4K3
SCHEMBL30453281 0.86 MET (0.56) METMAP4K4MAP4K3
SCHEMBL10218074 0.85 MET (0.60) METMAP4K4

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