SCHEMBL30453337

SCHEMBL30453337

Nc1ncc(-c2ccc(O)cc2)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.66
INPPL1 O15357 4/20 0.53
USP7 Q93009 3/20 0.47
MAP4K4 O95819 1/20 0.46
FYN P06241 2/20 0.45
MAP4K3 Q8IVH8 2/20 0.45
TGFBR1 P36897 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 2/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL487769 1.00 MET (0.66) METINPPL1USP7MAP4K4FYN
SCHEMBL487782 0.89 MET (0.65) METINPPL1USP7MAP4K4FYN
SCHEMBL30453255 0.89 MET (0.65) METINPPL1USP7MAP4K4FYN
SCHEMBL30454350 0.87 MAP4K4 (0.65) METINPPL1MAP4K4
SCHEMBL487663 0.87 MAP4K4 (0.65) METINPPL1MAP4K4
SCHEMBL487657 0.86 MET (0.75) METUSP7MAP4K4FYNMAP4K3
SCHEMBL30452824 0.86 MET (0.75) METUSP7MAP4K4FYNMAP4K3
SCHEMBL27630242 0.86 MET (0.75) METUSP7MAP4K4FYNMAP4K3
SCHEMBL27650116 0.86 MET (0.51) METINPPL1MAP4K4FYNMAP4K3
SCHEMBL27629915 0.81 MET (0.59) METINPPL1MAP4K4MAP4K3

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