SCHEMBL13990213

SCHEMBL13990213

COC(=O)c1cc(N)cc(C)c1-c1c(C)cc(N)cc1C=C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 5/20 0.37
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
GLA P06280 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
CFTR P13569 2/20 0.33
ABL1 P00519 1/20 0.33
NQO2 P16083 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
CISD2 Q8N5K1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13990211 0.79 NQO2 (0.35) NQO2TSHR
SCHEMBL13990198 0.74 GAA (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL524175 0.71 GAA (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11253706 0.70 GAA (0.51) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL2811429 0.69 GAA (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL1361427 0.68 KDM4E (0.51) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL22081931 0.68 ABL1 (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL29608598 0.68 GAA (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL2525608 0.68 GAA (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8178854 0.68 ALDH1A1 (0.60) KDM4EALDH1A1HPGDGAAHSD17B10

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
US-9522967-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY INTERNATIONAL INC. (US) 2016-12-20 US disclosed
US-20080306179-A1 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. 2008-12-11 US disclosed