SCHEMBL30452684

SCHEMBL30452684

Nc1ncc(-c2ccc(OCc3ccccc3)c(F)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.64
MAP4K4 O95819 1/20 0.54
MAP4K3 Q8IVH8 3/20 0.43
ERN1 O75460 1/20 0.43
CTSA P10619 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
JAK2 O60674 2/20 0.42
ALK Q9UM73 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL487818 1.00 MET (0.64) METMAP4K4MAP4K3ERN1CTSA
SCHEMBL30453540 0.87 MET (0.72) METMAP4K4MAP4K3JAK2
SCHEMBL487624 0.87 MET (0.72) METMAP4K4MAP4K3JAK2
SCHEMBL487907 0.83 MET (0.81) METMAP4K4MAP4K3JAK2
SCHEMBL487962 0.82 MET (0.62) METMAP4K4MAP4K3MGAMGAA
SCHEMBL488145 0.82 MET (0.68) METMAP4K4MAP4K3JAK2
SCHEMBL487619 0.82 MET (0.71) METMAP4K4MAP4K3JAK2
SCHEMBL488042 0.82 MET (0.79) METMAP4K4MAP4K3JAK2
SCHEMBL30452558 0.82 MET (0.71) METMAP4K4MAP4K3JAK2
Water SCHEMBL28121971 0.81 MET (0.79) METMAP4K4MAP4K3JAK2

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