SCHEMBL30453540

SCHEMBL30453540

Nc1ncc(-c2ccc(F)c(F)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.72
JAK2 O60674 3/20 0.48
MAP4K3 Q8IVH8 2/20 0.48
FYN P06241 1/20 0.44
MAP4K4 O95819 1/20 0.43
MPO P05164 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA7 P36544 3/20 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
SCHEMBL487624 1.00 MET (0.72) METJAK2MAP4K3FYNMAP4K4
SCHEMBL487619 0.88 MET (0.71) METJAK2MAP4K3FYNMAP4K4
SCHEMBL30452558 0.88 MET (0.71) METJAK2MAP4K3FYNMAP4K4
SCHEMBL488042 0.88 MET (0.79) METJAK2MAP4K3FYNMAP4K4
SCHEMBL30452684 0.87 MET (0.64) METJAK2MAP4K3MAP4K4
SCHEMBL487818 0.87 MET (0.64) METJAK2MAP4K3MAP4K4
SCHEMBL487777 0.85 MET (0.83) METJAK2MAP4K3FYNMAP4K4
SCHEMBL488258 0.84 MET (0.77) METJAK2MAP4K3MAP4K4MPO
SCHEMBL487830 0.84 MET (1.00) METMAP4K3FYNMAP4K4MPO
SCHEMBL487572 0.84 MET (0.73) METJAK2MAP4K3FYNMAP4K4

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