SCHEMBL581829

SCHEMBL581829

Nc1c(Cl)cc(Nc2ccc(CCO)cc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GNG2 P59768 3/20 0.52
GNB1 P62873 3/20 0.52
P2RY4 P51582 10/20 0.52
P2RY12 Q9H244 7/20 0.52
P2RY2 P41231 6/20 0.50
P2RY6 Q15077 4/20 0.50
ENTPD1 P49961 2/20 0.50
MET P08581 2/20 0.49
HGF P14210 2/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL14011363 0.88 P2RY4 (0.57) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL582954 0.86 MEN1 (0.62) MEN1NPC1LMNAMAPTMAPK1
Alcohol SCHEMBL582632 0.84 MEN1 (0.60) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL11756141 0.84 P2RY4 (0.65) GNG2GNB1P2RY4P2RY12P2RY2
SCHEMBL582631 0.82 MEN1 (0.57) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL375688 0.82 LMNA (0.87) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL11504883 0.82 P2RY4 (0.68) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL14011380 0.80 MEN1 (0.54) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL5042164 0.78 NPC1 (0.60) MEN1NPC1LMNAMAPTMAPK1
SCHEMBL13135364 0.77 LMNA (0.77) MEN1NPC1LMNAMAPTMAPK1

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 8 patents. 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
EP-1487920-B1 ANTHRAQUINONE DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2012-02-15 EP disclosed
US-7456316-B2 Anthraquinone dyes HUNTSMAN INTERNATIONAL LLC (US) 2008-11-25 US disclosed
CN-100408640-C Anthraquinone dyes CIBA SC HOLDING AG (CH) 2008-08-06 CN disclosed
CN-1643074-A Anthraquinone dyes CIBA SC HOLDING AG (CH) 2005-07-20 CN disclosed
US-20050150061-A1 Anthraquinone dyes HUNTSMAN INTERNATIONAL LLC 2005-07-14 US disclosed
EP-1487920-A1 ANTHRAQUINONE DYES Ciba SC Holding AG (CH) 2004-12-22 EP disclosed
WO-2003080734-A1 ANTHRAQUINONE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-10-02 WO disclosed