SCHEMBL30453352

SCHEMBL30453352

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.64
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KCNH2 Q12809 3/20 0.46
MAP4K4 O95819 1/20 0.45
MAP3K11 Q16584 1/20 0.44
F10 P00742 2/20 0.44

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
SCHEMBL487655 1.00 MET (0.64) METUSP2HPGDKCNH2MAP4K4
SCHEMBL488239 0.93 MET (0.64) METUSP2HPGDKCNH2MAP4K4
SCHEMBL30453900 0.93 MET (0.64) METUSP2HPGDKCNH2MAP4K4
SCHEMBL30453620 0.92 MET (0.55) METKCNH2MAP4K4MAP3K11
SCHEMBL488138 0.92 MET (0.55) METKCNH2MAP4K4MAP3K11
SCHEMBL488146 0.90 MET (0.63) METHPGDKCNH2MAP4K4MAP3K11
SCHEMBL30453233 0.90 MET (0.63) METHPGDKCNH2MAP4K4MAP3K11
SCHEMBL488535 0.85 MET (0.69) MET
SCHEMBL30453020 0.85 MET (0.69) MET
SCHEMBL488202 0.85 MET (0.66) 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