SCHEMBL3185014

SCHEMBL3185014

COc1ccc(C(=O)c2cc(N=Nc3ccc(CCO)cc3)c(O)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3185002 1.00 NPC1 (0.45) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL3192196 0.85 PPARG (0.41) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL3192190 0.85 PPARG (0.41) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL16693333 0.82 MAPT (0.54) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL3197447 0.78 GSTA1 (0.40) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL3197451 0.78 GSTA1 (0.40) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL13269903 0.78 KMT2A (0.38) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL3194460 0.78 ALDH1A1 (0.39) NPC1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL3188163 0.78 PPARG (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL3188158 0.78 PPARG (0.39) MAPTMEN1KMT2ALMNAHPGD

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
EP-1867683-B1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO LTD (JP) 2012-10-17 EP disclosed
US-7662937-B2 Polymerizable dye and ophthalmic lens containing the same MENICON CO., LTD. (JP) 2010-02-16 US disclosed
US-20090082553-A1 Novel Polymerizable Dye and Ophthalmic Lens Containing the Same MENICON CO., LTD. (JP) 2009-03-26 US disclosed
EP-1867683-A1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO., LTD. (JP) 2007-12-19 EP disclosed