SCHEMBL30454267

SCHEMBL30454267

Nc1ncc(-c2ccccc2OC(F)(F)F)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.60
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SCN9A Q15858 8/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
USP7 Q93009 1/20 0.41
MAP4K3 Q8IVH8 2/20 0.40
JAK2 O60674 1/20 0.40
CHRNA7 P36544 1/20 0.39
TRPA1 O75762 1/20 0.39
SCN5A Q14524 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
SCHEMBL487806 1.00 MET (0.60) METALOX5APFEN1SCN9APTGER1
SCHEMBL487923 0.85 MET (0.61) METALOX5APFEN1SCN9APTGER1
SCHEMBL30452662 0.85 MET (0.61) METALOX5APFEN1SCN9APTGER1
SCHEMBL488125 0.85 MET (0.63) METPTGER1PTGER4PTGER3PTGER2
SCHEMBL30453937 0.85 MET (0.63) METPTGER1PTGER4PTGER3PTGER2
SCHEMBL487962 0.84 MET (0.62) METFEN1PTGER1PTGER4PTGER3
SCHEMBL30453367 0.84 MET (0.65) METPTGER1PTGER4PTGER3PTGER2
SCHEMBL487729 0.84 MET (0.65) METPTGER1PTGER4PTGER3PTGER2
SCHEMBL487821 0.83 MET (0.61) METPTGER1PTGER4PTGER3PTGER2
SCHEMBL488173 0.82 MET (0.63) METMAP4K3JAK2

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