SCHEMBL3192196

SCHEMBL3192196

O=C(c1ccccc1)c1cc(N=Nc2ccc(CCO)cc2)c(O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDE P14735 1/20 0.38
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3192190 1.00 PPARG (0.41) PPARGKMT2AMEN1GAAUSP2
SCHEMBL3188158 0.92 PPARG (0.39) PPARGKMT2AMEN1GAAUSP2
SCHEMBL3188163 0.92 PPARG (0.39) PPARGKMT2AMEN1GAAUSP2
SCHEMBL3197451 0.88 GSTA1 (0.40) KMT2AMEN1GAAMAPTLMNA
SCHEMBL3197447 0.88 GSTA1 (0.40) KMT2AMEN1GAAMAPTLMNA
SCHEMBL16693333 0.87 MAPT (0.54) PPARGKMT2AMEN1GAAMAPT
SCHEMBL27701168 0.86 BCL2 (0.43) PPARGKMT2AMEN1GAAUSP2
SCHEMBL3185002 0.85 NPC1 (0.45) KMT2AMEN1GAAMAPTLMNA
SCHEMBL3185014 0.85 NPC1 (0.45) KMT2AMEN1GAAMAPTLMNA
SCHEMBL3194460 0.85 ALDH1A1 (0.39) KMT2AMEN1GAAMAPTHPGD

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 6 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
CN-101151332-B Novel polymerizable dye and ophthalmic lens containing the same MENICON CO LTD 2010-12-08 CN 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
CN-101151332-A Novel polymerizable dye and ophthalmic lens containing the same MENICON CO LTD (JP) 2008-03-26 CN disclosed
EP-1867683-A1 NOVEL POLYMERIZABLE DYE AND OPHTHALMIC LENS CONTAINING THE SAME MENICON CO., LTD. (JP) 2007-12-19 EP disclosed