SCHEMBL8348682

SCHEMBL8348682

CCc1ccc(CNc2ccc(OC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
GAA P10253 4/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
RAB9A P51151 3/20 0.72
NPC1 O15118 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
APAF1 O14727 1/20 0.62
USP2 O75604 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
ALOX12 P18054 1/20 0.62
MAPK1 P28482 1/20 0.62
CASP1 P29466 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL10055019 0.92 MAPT (0.82) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL1844199 0.92 MAPT (0.82) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL5669873 0.92 MAPT (0.82) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL22783768 0.87 MAPT (0.74) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL8060137 0.86 MEN1 (0.80) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL8345852 0.85 MAPT (0.72) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL169696 0.85 MAPT (0.72) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL11935861 0.84 MAPT (0.70) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL14809315 0.84 MAPT (1.00) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL10924995 0.84 RAB9A (0.70) MAPTGAAL3MBTL1RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed