SCHEMBL30454464

SCHEMBL30454464

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 13/20 0.71
MET P08581 5/20 0.56
FEN1 P39748 1/20 0.48
ALKBH1 Q13686 1/20 0.47

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
SCHEMBL487688 1.00 MAP4K4 (0.71) MAP4K4METFEN1ALKBH1
SCHEMBL487893 0.92 MET (0.65) MAP4K4METFEN1ALKBH1
SCHEMBL30454009 0.92 MET (0.65) MAP4K4METFEN1ALKBH1
SCHEMBL487982 0.88 MAP4K4 (0.64) MAP4K4MET
SCHEMBL30453201 0.88 MAP4K4 (0.64) MAP4K4MET
SCHEMBL487592 0.87 MET (0.73) MAP4K4MET
SCHEMBL30452529 0.87 MET (0.73) MAP4K4MET
SCHEMBL487796 0.86 MET (0.57) MAP4K4MET
SCHEMBL487674 0.86 MET (0.76) MAP4K4MET
SCHEMBL30453780 0.86 MET (0.76) MAP4K4MET

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