SCHEMBL30453947

SCHEMBL30453947

Nc1ccc(-c2cnc(N)c(OCc3ccccc3)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.68
MAP4K3 Q8IVH8 2/20 0.53
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALOX5AP P20292 2/20 0.51
MET P08581 2/20 0.49
FEN1 P39748 1/20 0.48
PIK3CG P48736 1/20 0.46
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.44
KCNH2 Q12809 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
TNIK Q9UKE5 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL487917 1.00 MAP4K4 (0.68) MAP4K4MAP4K3LTA4HMAPK14ALOX5AP
SCHEMBL488178 0.88 MAP4K4 (0.75) MAP4K4MAP4K3LTA4HMAPK14ALOX5AP
SCHEMBL30454152 0.86 MAP4K4 (0.59) MAP4K4MAP4K3LTA4HMETMPO
SCHEMBL488102 0.86 MAP4K4 (0.59) MAP4K4MAP4K3LTA4HMETMPO
SCHEMBL487854 0.86 MAP4K4 (0.76) MAP4K4MAP4K3LTA4HMAPK14ALOX5AP
SCHEMBL30452754 0.86 MAP4K4 (0.76) MAP4K4MAP4K3LTA4HMAPK14ALOX5AP
SCHEMBL30453373 0.83 CYP11B1 (0.63) MAP4K4MAP4K3LTA4HMAPK14MET
SCHEMBL488124 0.83 CYP11B1 (0.63) MAP4K4MAP4K3LTA4HMAPK14MET
SCHEMBL487829 0.83 MAP4K4 (0.64) MAP4K4MAP4K3LTA4HMAPK14ALOX5AP
SCHEMBL10214993 0.81 MAP4K4 (1.00) MAP4K4METFEN1

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