SCHEMBL30453829

SCHEMBL30453829

N#Cc1ccccc1COc1cc(-c2ccccc2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.55
MAP4K4 O95819 2/20 0.50
PLAU P00749 1/20 0.50
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
FYN P06241 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP4K3 Q8IVH8 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41
USP7 Q93009 1/20 0.41
FFAR1 O14842 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
SCHEMBL488435 1.00 MET (0.55) METMAP4K4PLAUALDH1A1NPSR1
SCHEMBL487901 0.91 MET (0.57) METMAP4K4PLAUALDH1A1KDM4E
SCHEMBL30454226 0.91 MET (0.57) METMAP4K4PLAUALDH1A1KDM4E
SCHEMBL30453543 0.89 MAP4K4 (0.69) METMAP4K4ALDH1A1KDM4E
SCHEMBL487828 0.89 MAP4K4 (0.69) METMAP4K4ALDH1A1KDM4E
SCHEMBL6424806 0.85 MET (0.52) METMAP4K4PLAUALDH1A1KDM4E
SCHEMBL488273 0.83 PLAU (0.51) METPLAUALDH1A1KDM4ESGMS2
SCHEMBL487629 0.83 MET (0.51) METMAP4K4PLAUFYNSGMS2
SCHEMBL488082 0.80 MET (0.61) METMAP4K4FYNMAP4K3USP7
SCHEMBL30452541 0.79 MET (0.66) 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