SCHEMBL30453497

SCHEMBL30453497

CN(C)[C@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccc(Cl)cc4Cl)c3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.62
ATR Q13535 6/20 0.46
MALT1 Q9UDY8 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL488305 1.00 MET (0.62) METATRMALT1HRH3
SCHEMBL30453159 0.93 MET (0.54) METATR
SCHEMBL487661 0.93 MET (0.54) METATR
SCHEMBL487914 0.91 MET (0.62) METATRHRH3
SCHEMBL30454310 0.91 MET (0.62) METATRHRH3
SCHEMBL488202 0.88 MET (0.66) MET
SCHEMBL30453547 0.88 MET (0.66) MET
SCHEMBL14631924 0.88 MET (0.66) MET
SCHEMBL488164 0.87 MET (0.61) METATRHRH3
SCHEMBL30453385 0.87 MET (0.61) METATRHRH3

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