SCHEMBL30454994

SCHEMBL30454994

Nc1ncc(-c2ccccn2)cc1OCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 5/20 0.49
MAP4K4 O95819 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
MET P08581 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHEK2 O96017 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
NTRK2 Q16620 1/20 0.41
MPO P05164 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL488281 1.00 MAP4K3 (0.49) MAP4K3MAP4K4NPC1RAB9AMAPT
SCHEMBL30453851 0.90 MAP4K4 (0.60) MAP4K3MAP4K4NPC1RAB9ALTA4H
SCHEMBL488264 0.90 MAP4K4 (0.60) MAP4K3MAP4K4NPC1RAB9ALTA4H
SCHEMBL488238 0.82 MET (0.66) MAP4K3MAP4K4NPC1RAB9AMAPT
SCHEMBL30453970 0.82 MET (0.66) MAP4K3MAP4K4NPC1RAB9AMAPT
SCHEMBL488849 0.82 MAP4K3 (0.53) MAP4K3MAP4K4NPC1RAB9AMAPT
SCHEMBL30453451 0.82 MAP4K3 (0.53) MAP4K3MAP4K4NPC1RAB9AMAPT
SCHEMBL30453706 0.81 MET (0.46) MAP4K3MAP4K4NPC1METHTT
SCHEMBL488033 0.81 MET (0.46) MAP4K3MAP4K4NPC1METHTT
SCHEMBL30453298 0.80 MAP4K3 (0.52) MAP4K3MAP4K4NPC1RAB9AMAPT

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