SCHEMBL30453543

SCHEMBL30453543

N#Cc1ccccc1COc1cc(-c2ccc(C(=O)O)cc2)cnc1N

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.69
MET P08581 4/20 0.62
XDH P47989 3/20 0.51
ALKBH1 Q13686 1/20 0.50
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL487828 1.00 MAP4K4 (0.69) MAP4K4METXDHALKBH1CSNK2A2
SCHEMBL488435 0.89 MET (0.55) MAP4K4METKDM4EALDH1A1
SCHEMBL30453829 0.89 MET (0.55) MAP4K4METKDM4EALDH1A1
SCHEMBL487901 0.88 MET (0.57) MAP4K4METKDM4EALDH1A1
SCHEMBL30454226 0.88 MET (0.57) MAP4K4METKDM4EALDH1A1
SCHEMBL27630101 0.85 ALDH1A1 (0.61) MAP4K4METXDHALKBH1KDM4E
SCHEMBL30452541 0.84 MET (0.66) MAP4K4MET
SCHEMBL487715 0.84 MET (0.66) MAP4K4MET
SCHEMBL30454971 0.84 MAP4K4 (0.73) MAP4K4METALKBH1
SCHEMBL487832 0.84 MAP4K4 (0.73) MAP4K4METALKBH1

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