SCHEMBL30452754

SCHEMBL30452754

Nc1ncc(-c2ccc(O)cc2)cc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.76
MET P08581 2/20 0.66
USP7 Q93009 2/20 0.58
MAP4K3 Q8IVH8 1/20 0.53
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
FYN P06241 3/20 0.50
TGFBR1 P36897 1/20 0.50
CHEK2 O96017 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 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
SCHEMBL487854 1.00 MAP4K4 (0.76) MAP4K4METUSP7MAP4K3LTA4H
SCHEMBL488178 0.91 MAP4K4 (0.75) MAP4K4METUSP7MAP4K3LTA4H
SCHEMBL10214993 0.87 MAP4K4 (1.00) MAP4K4MET
SCHEMBL487917 0.86 MAP4K4 (0.68) MAP4K4METMAP4K3LTA4HMAPK14
SCHEMBL30453947 0.86 MAP4K4 (0.68) MAP4K4METMAP4K3LTA4HMAPK14
SCHEMBL487829 0.83 MAP4K4 (0.64) MAP4K4METMAP4K3LTA4HMAPK14
SCHEMBL30452762 0.83 MET (0.56) MAP4K4METUSP7MAP4K3FYN
SCHEMBL488223 0.83 MET (0.56) MAP4K4METUSP7MAP4K3FYN
SCHEMBL488015 0.82 MAP4K4 (0.78) MAP4K4METMAP4K3CHEK2LMNA
SCHEMBL30452824 0.81 MET (0.75) MAP4K4METUSP7MAP4K3FYN

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