SCHEMBL3194533

SCHEMBL3194533

O=C(c1ccccc1)c1ccc(O)c(N=Nc2ccc(CCO)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FTO Q9C0B1 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL27818487 0.92 NQO2 (0.43) NQO2CA1CA2L3MBTL1CASP3
SCHEMBL3192196 0.84 PPARG (0.41) NQO2L3MBTL1CASP3SENP7SENP6
SCHEMBL3192190 0.84 PPARG (0.41) NQO2L3MBTL1CASP3SENP7SENP6
SCHEMBL27701168 0.80 BCL2 (0.43) L3MBTL1MEN1KMT2APOLBRAB9A
SCHEMBL2220680 0.79 MAPT (0.53) NQO2CA1CA2L3MBTL1CASP3
SCHEMBL2220683 0.79 MAPT (0.53) NQO2CA1CA2L3MBTL1CASP3
SCHEMBL3185919 0.78 PPARG (0.45) L3MBTL1MEN1KMT2APOLBRAB9A
SCHEMBL3185911 0.78 PPARG (0.45) L3MBTL1MEN1KMT2APOLBRAB9A
SCHEMBL8026026 0.78 TDP1 (0.60) L3MBTL1MEN1KMT2ARAB9AMAPT
SCHEMBL3188163 0.76 PPARG (0.39) NQO2MEN1KMT2AMAPTGAA

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