SCHEMBL30454836

SCHEMBL30454836

Nc1ncc(-c2ccc(CO)cc2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.80
MAP4K4 O95819 2/20 0.51
FYN P06241 3/20 0.49
MPO P05164 1/20 0.43
USP7 Q93009 2/20 0.41
CHRNA7 P36544 1/20 0.41
MAP4K3 Q8IVH8 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL487935 1.00 MET (0.80) METMAP4K4FYNMPOUSP7
SCHEMBL487830 0.89 MET (1.00) METMAP4K4FYNMPOUSP7
SCHEMBL30453987 0.89 MET (1.00) METMAP4K4FYNMPOUSP7
SCHEMBL487777 0.87 MET (0.83) METMAP4K4FYNMPOUSP7
SCHEMBL487907 0.86 MET (0.81) METMAP4K4FYNMPOUSP7
SCHEMBL488042 0.85 MET (0.79) METMAP4K4FYNMPOCHRNA7
Water SCHEMBL28121971 0.85 MET (0.79) METMAP4K4FYNMPOUSP7
SCHEMBL487739 0.84 MET (0.77) METMAP4K4MPOMAP4K3SMN1; SMN2
SCHEMBL30453556 0.84 MET (0.77) METMAP4K4MPOMAP4K3SMN1; SMN2
SCHEMBL30454638 0.84 MET (0.77) METMAP4K4MPOMAP4K3CYP1A2

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