SCHEMBL6667014

SCHEMBL6667014

Nc1c(N)c2c(c(O)c1O)Oc1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPKAPK2 P49137 5/20 0.43
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6667007 0.87 MAOA (0.46) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL28853969 0.73 MAOA (0.52) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL1979796 0.72 MAOA (0.52) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL1979793 0.72 MAOA (0.52) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL6666161 0.72 MAOA (0.40) MAOAMAOBMAPKAPK2
SCHEMBL2418922 0.71 MAOA (0.60) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL31696794 0.68 MAOA (0.56) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL7970202 0.68 MAOA (0.55) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL1461767 0.68 MAPKAPK2 (0.57) MAOAMAOBMAPKAPK2NPC1LMNA
SCHEMBL5094900 0.67 MAOA (0.59) MAOAMAOBMAPKAPK2NPC1LMNA

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
JP-2004175693-A DIHYDROXYDINITROXANTHENE COMPOUND AND METHOD FOR PRODUCING THE SAME MITSUBISHI CHEMICALS CORP 2004-06-24 JP disclosed