SCHEMBL30453620

SCHEMBL30453620

CC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(F)cc4Cl)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.55
KCNH2 Q12809 3/20 0.45
MAP4K4 O95819 1/20 0.44
MAP3K11 Q16584 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
SCHEMBL488138 1.00 MET (0.55) METKCNH2MAP4K4MAP3K11
SCHEMBL488152 0.93 MET (0.55) METKCNH2
SCHEMBL30452936 0.93 MET (0.55) METKCNH2
SCHEMBL30453352 0.92 MET (0.64) METKCNH2MAP4K4MAP3K11
SCHEMBL487655 0.92 MET (0.64) METKCNH2MAP4K4MAP3K11
SCHEMBL488146 0.89 MET (0.63) METKCNH2MAP4K4MAP3K11
SCHEMBL30453233 0.89 MET (0.63) METKCNH2MAP4K4MAP3K11
SCHEMBL30453454 0.85 MET (0.56) METKCNH2MAP4K4
SCHEMBL488399 0.85 MET (0.56) METKCNH2MAP4K4
SCHEMBL30453900 0.85 MET (0.64) 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