SCHEMBL30453327

SCHEMBL30453327

CC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4ccccc4C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.65
MAP4K3 Q8IVH8 1/20 0.51
KCNH2 Q12809 7/20 0.50
MAP4K4 O95819 1/20 0.48
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL488532 1.00 MET (0.65) METMAP4K3KCNH2MAP4K4PIK3CD
SCHEMBL30453650 0.93 MET (0.65) METMAP4K3KCNH2MAP4K4
SCHEMBL488012 0.93 MET (0.65) METMAP4K3KCNH2MAP4K4
SCHEMBL6364339 0.91 MET (0.55) METMAP4K3KCNH2PIK3CDPIK3CA
SCHEMBL27915639 0.89 MET (0.61) METMAP4K3KCNH2MAP4K4ALDH1A1
SCHEMBL27915640 0.88 MET (0.60) METMAP4K3KCNH2MAP4K4ALDH1A1
SCHEMBL488146 0.86 MET (0.63) METMAP4K3KCNH2MAP4K4
SCHEMBL30453233 0.86 MET (0.63) METMAP4K3KCNH2MAP4K4
SCHEMBL30453248 0.86 MET (0.69) METMAP4K3MAP4K4
SCHEMBL487635 0.86 MET (0.69) METMAP4K3MAP4K4

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