SCHEMBL30452529

SCHEMBL30452529

Nc1ncc(-c2ccc(O)cc2)cc1OCc1c(F)cccc1F

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.73
MAP4K4 O95819 2/20 0.51
USP7 Q93009 5/20 0.49
FYN P06241 7/20 0.47
TGFBR1 P36897 1/20 0.47
CHEK2 O96017 1/20 0.44
MINK1 Q8N4C8 1/20 0.42
TNIK Q9UKE5 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
SCHEMBL487592 1.00 MET (0.73) METMAP4K4USP7FYNTGFBR1
SCHEMBL487969 0.92 MET (0.84) METMAP4K4USP7FYNTGFBR1
SCHEMBL30453384 0.92 MET (0.84) METMAP4K4USP7FYNTGFBR1
SCHEMBL487796 0.89 MET (0.57) METMAP4K4USP7FYN
Ethyl Acetate SCHEMBL28122581 0.88 MET (0.58) METMAP4K4USP7FYNTGFBR1
Water SCHEMBL28122580 0.88 MET (0.56) METMAP4K4USP7FYN
SCHEMBL487688 0.87 MAP4K4 (0.71) METMAP4K4
SCHEMBL30454464 0.87 MAP4K4 (0.71) METMAP4K4
SCHEMBL5484313 0.86 MET (0.54) METMAP4K4FYN
SCHEMBL487830 0.84 MET (1.00) METMAP4K4USP7FYNTGFBR1

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