SCHEMBL30454723

SCHEMBL30454723

Nc1ncc(-c2cccc(O)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.79
FYN P06241 5/20 0.52
BMPR1A P36894 1/20 0.52
TGFBR1 P36897 1/20 0.52
ACVRL1 P37023 1/20 0.52
ACVR1 Q04771 1/20 0.52
MAP4K4 O95819 2/20 0.44
MPO P05164 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
MAP4K3 Q8IVH8 2/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
JAK2 O60674 1/20 0.41
CSF1R P07333 1/20 0.41
USP7 Q93009 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
SCHEMBL487730 1.00 MET (0.79) METFYNBMPR1ATGFBR1ACVRL1
SCHEMBL30453987 0.88 MET (1.00) METFYNTGFBR1MAP4K4MPO
SCHEMBL487572 0.88 MET (0.73) METFYNMAP4K4MPOPIK3CD
SCHEMBL487830 0.88 MET (1.00) METFYNTGFBR1MAP4K4MPO
SCHEMBL487907 0.88 MET (0.81) METFYNMAP4K4MPOPIK3CD
SCHEMBL30452558 0.87 MET (0.71) METFYNMAP4K4MPOMAP4K3
SCHEMBL487619 0.87 MET (0.71) METFYNMAP4K4MPOMAP4K3
Water SCHEMBL28121971 0.87 MET (0.79) METFYNMAP4K4MPOPIK3CD
SCHEMBL30453565 0.84 MET (0.67) METMAP4K4
SCHEMBL487900 0.84 MET (0.67) 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