SCHEMBL30453441

SCHEMBL30453441

COc1cccc(COc2cc(-c3ccccc3)cnc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.60
MAP4K4 O95819 1/20 0.58
MAOB P27338 5/20 0.54
FYN P06241 5/20 0.52
HTR1A P08908 3/20 0.51
DRD2 P14416 3/20 0.51
ABCB1 P08183 3/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MET P08581 1/20 0.47

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
SCHEMBL487975 1.00 MAP4K3 (0.60) MAP4K3MAP4K4MAOBFYNHTR1A
SCHEMBL488178 0.85 MAP4K4 (0.75) MAP4K3MAP4K4MAOBFYNMET
SCHEMBL15338674 0.82 MAP4K4 (0.60) MAP4K3MAP4K4FYNIDO1AGXT
SCHEMBL487837 0.81 LMNA (0.53) MAP4K4FYNMAPTHTTSMN1; SMN2
SCHEMBL30452867 0.81 LMNA (0.53) MAP4K4FYNMAPTHTTSMN1; SMN2
SCHEMBL29870411 0.80 NPC1 (0.55) MAP4K4MAOBHTR1ADRD2ABCB1
SCHEMBL28513683 0.80 NPC1 (0.55) MAP4K4MAOBHTR1ADRD2ABCB1
SCHEMBL10214982 0.78 MAOB (0.46) MAP4K3MAOBHTR1ADRD2ABCB1
SCHEMBL30454973 0.78 MET (0.67) MAP4K3MAP4K4FYNMAPTSMN1; SMN2
SCHEMBL488061 0.78 MET (0.67) MAP4K3MAP4K4FYNMAPTSMN1; SMN2

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