SCHEMBL582608

SCHEMBL582608

CNc1c(Br)cc(Nc2ccc(CCO)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GNG2 P59768 3/20 0.46
GNB1 P62873 3/20 0.46
P2RY4 P51582 7/20 0.43
P2RY12 Q9H244 3/20 0.43
PLAUR Q03405 2/20 0.42
PDE4B Q07343 1/20 0.40
MTOR P42345 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
PRKCA P17252 1/20 0.39
PHLPP2 Q6ZVD8 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
SCHEMBL582954 0.84 MEN1 (0.62) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL375688 0.80 LMNA (0.87) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13135364 0.77 LMNA (0.77) NPC1RAB9AMEN1LMNAMAPT
Alcohol SCHEMBL582632 0.76 MEN1 (0.60) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL581829 0.75 MEN1 (0.62) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13370284 0.75 MEN1 (1.00) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL5553577 0.74 MAPT (0.72) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL10729959 0.74 P2RY4 (0.46) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL5042164 0.74 NPC1 (0.60) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL8030800 0.74 LMNA (0.70) NPC1RAB9AMEN1LMNAMAPT

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
EP-1487920-B1 ANTHRAQUINONE DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2012-02-15 EP disclosed