SCHEMBL30454707

SCHEMBL30454707

Nc1ncc(-c2ccc(O)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.58
MET P08581 3/20 0.57
MAP4K4 O95819 2/20 0.50
USP7 Q93009 2/20 0.47
FYN P06241 2/20 0.44
TGFBR1 P36897 1/20 0.44
IDO1 P14902 2/20 0.43
MAOB P27338 2/20 0.43
SGMS2 Q8NHU3 1/20 0.41
PLK1 P53350 2/20 0.41
CHEK2 O96017 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL487859 1.00 MAP4K3 (0.58) MAP4K3METMAP4K4USP7FYN
SCHEMBL30453475 0.88 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL488215 0.88 MAP4K4 (0.69) MAP4K3METMAP4K4MAOB
SCHEMBL30453136 0.86 MAP4K3 (0.55) MAP4K3METMAP4K4IDO1MAOB
SCHEMBL27630255 0.86 MAP4K3 (0.55) MAP4K3METMAP4K4FYNIDO1
SCHEMBL27629997 0.82 MET (0.61) MAP4K3METMAP4K4
SCHEMBL30452824 0.81 MET (0.75) MAP4K3METMAP4K4USP7FYN
SCHEMBL487657 0.81 MET (0.75) MAP4K3METMAP4K4USP7FYN
SCHEMBL27630242 0.81 MET (0.75) MAP4K3METMAP4K4USP7FYN
SCHEMBL488094 0.81 MAP4K3 (0.52) MAP4K3METMAP4K4FYN

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