SCHEMBL30453219

SCHEMBL30453219

N#Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cnc1N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.68
KDM1A O60341 10/20 0.47
MAP4K4 O95819 2/20 0.46
KCNH2 Q12809 1/20 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
SCHEMBL488476 1.00 MET (0.68) METKDM1AMAP4K4KCNH2
SCHEMBL14631832 1.00 MET (0.68) METKDM1AMAP4K4KCNH2
SCHEMBL30454329 0.90 MET (0.63) METKDM1AMAP4K4
SCHEMBL488078 0.90 MET (0.63) METKDM1AMAP4K4
SCHEMBL30452960 0.88 MET (0.65) METMAP4K4KCNH2
SCHEMBL488185 0.88 MET (0.65) METMAP4K4KCNH2
SCHEMBL487781 0.88 MET (0.69) METMAP4K4
SCHEMBL30454983 0.88 MET (0.69) METMAP4K4
SCHEMBL30452541 0.87 MET (0.66) METMAP4K4KCNH2
SCHEMBL487715 0.87 MET (0.66) METMAP4K4KCNH2

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