SCHEMBL2904822

SCHEMBL2904822

c1cc(Oc2ccc(OCC3CO3)cc2)nc(Oc2ccc(OCC3CO3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
PKM P14618 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS2 P35228 2/20 0.41
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
SCN9A Q15858 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
SCHEMBL2906849 0.96 TDP1 (0.45) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL2904565 0.91 ALDH1A1 (0.48) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL5687008 0.82 ALDH1A1 (0.47) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL2898857 0.82 TDP1 (0.54) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL2898456 0.82 TDP1 (0.64) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL5632761 0.81 NOS2 (0.36) MAPTMEN1KMT2ACYP1A2GAA
SCHEMBL5686746 0.79 TDP1 (0.56) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL27131027 0.79 TDP1 (0.44) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL2898835 0.78 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL2900335 0.78 TDP1 (0.50) TDP1ALDH1A1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636209-B1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL CO (JP) 2010-08-11 EP disclosed
US-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 WO disclosed