SCHEMBL30453454

SCHEMBL30453454

Nc1ncc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cc1OCc1ccc(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.56
KCNH2 Q12809 1/20 0.46
KDM1A O60341 1/20 0.43
MAP4K4 O95819 2/20 0.42
MAP4K3 Q8IVH8 1/20 0.42

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
SCHEMBL488399 1.00 MET (0.56) METKCNH2KDM1AMAP4K4MAP4K3
SCHEMBL14631924 0.92 MET (0.66) METKCNH2MAP4K4MAP4K3
SCHEMBL30453547 0.92 MET (0.66) METKCNH2MAP4K4MAP4K3
SCHEMBL488202 0.92 MET (0.66) METKCNH2MAP4K4MAP4K3
SCHEMBL30452960 0.90 MET (0.65) METKCNH2MAP4K4MAP4K3
SCHEMBL488185 0.90 MET (0.65) METKCNH2MAP4K4MAP4K3
SCHEMBL487661 0.89 MET (0.54) METMAP4K4
SCHEMBL30453159 0.89 MET (0.54) METMAP4K4
SCHEMBL30452936 0.85 MET (0.55) METKCNH2
SCHEMBL30453620 0.85 MET (0.55) METKCNH2MAP4K4

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