SCHEMBL30453045

SCHEMBL30453045

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1c(F)cc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.62
MERTK Q12866 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
AXL P30530 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
MBTD1 Q05BQ5 4/20 0.47
L3MBTL3 Q96JM7 4/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
ATR Q13535 1/20 0.47
MAP4K4 O95819 1/20 0.46

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
SCHEMBL487552 1.00 MET (0.62) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217514 0.91 MET (0.62) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217997 0.91 MET (0.60) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217429 0.91 MET (0.60) METMERTKL3MBTL1AXLKDM4E
SCHEMBL487992 0.90 MET (0.69) METMERTKAXL
SCHEMBL30453468 0.90 MET (0.69) METMERTKAXL
SCHEMBL10217398 0.90 MET (0.65) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217551 0.89 MET (0.61) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217508 0.89 MET (0.61) METMERTKL3MBTL1AXLKDM4E
SCHEMBL10217763 0.88 MET (0.61) METMERTKAXL

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