SCHEMBL8345852

SCHEMBL8345852

COc1ccc(NCc2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
L3MBTL1 Q9Y468 4/20 0.72
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
GAA P10253 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
LMNA P02545 1/20 0.68
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
POLB P06746 1/20 0.62
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
THRB P10828 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 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
SCHEMBL169696 1.00 MAPT (0.72) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL5669873 0.92 MAPT (0.82) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL10055019 0.92 MAPT (0.82) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL1844199 0.92 MAPT (0.82) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL22783768 0.87 MAPT (0.74) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL2005375 0.86 MAPT (0.80) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL10055032 0.86 MAPT (0.80) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL8348682 0.85 MAPT (0.72) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL10267340 0.85 MAPT (0.68) MAPTL3MBTL1RAB9ANPC1GAA
SCHEMBL30301281 0.85 MAPT (0.59) MAPTL3MBTL1RAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed