SCHEMBL30454009

SCHEMBL30454009

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.65
MAP4K4 O95819 8/20 0.64
ALKBH1 Q13686 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
FEN1 P39748 1/20 0.45
TP53 P04637 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
SCHEMBL487893 1.00 MET (0.65) METMAP4K4ALKBH1SMN1; SMN2FEN1
SCHEMBL487688 0.92 MAP4K4 (0.71) METMAP4K4ALKBH1FEN1
SCHEMBL30454464 0.92 MAP4K4 (0.71) METMAP4K4ALKBH1FEN1
SCHEMBL487674 0.92 MET (0.76) METMAP4K4
SCHEMBL30453780 0.92 MET (0.76) METMAP4K4
SCHEMBL487969 0.88 MET (0.84) METMAP4K4SMN1; SMN2
SCHEMBL30453384 0.88 MET (0.84) METMAP4K4SMN1; SMN2
SCHEMBL488145 0.88 MET (0.68) METMAP4K4SMN1; SMN2TP53
SCHEMBL488594 0.88 MAP4K4 (0.61) METMAP4K4
SCHEMBL487982 0.87 MAP4K4 (0.64) METMAP4K4

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