SCHEMBL13292991

SCHEMBL13292991

c1ccc2cc3nc4c5cccc6c7nc8cc9ccccc9cc8nc7c7cccc(c4nc3cc2c1)c7c56

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.52
ESR1 P03372 4/20 0.44
ESR2 Q92731 3/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 3/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL19443841 0.87 NQO2 (0.41) NQO2ESR1ESR2ALDH1A1TDP1
SCHEMBL13778737 0.86 NQO2 (0.39) NQO2ESR1ESR2ALDH1A1HPGD
SCHEMBL14433782 0.85 NPC1 (0.43) NQO2ESR1ESR2ALDH1A1HSD17B10
SCHEMBL13156509 0.83 MAPT (0.50) NQO2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL17656961 0.82 NQO2 (0.52) NQO2ESR1ESR2ALDH1A1HPGD
SCHEMBL2247546 0.80 NQO2 (0.68) NQO2ESR1ESR2ALDH1A1HPGD
SCHEMBL31036114 0.78 CCR1 (0.53) NQO2ALDH1A1TDP1TSHRHIF1A
SCHEMBL912017 0.78 CCR1 (0.53) NQO2ALDH1A1TDP1TSHRHIF1A
SCHEMBL13292931 0.77 ALDH1A1 (0.58) NQO2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29391866 0.77 NQO2 (0.46) NQO2ESR1ESR2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836731-B1 ORGANIC THIN FILM TRANSISTOR LG CHEMICAL LTD (KR) 2017-10-11 EP disclosed
EP-1828343-B1 PYRENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING PYRENE DERIVATIVES LG CHEMICAL LTD (KR) 2016-12-07 EP disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 US disclosed
US-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 US disclosed
US-7714323-B2 Organic thin film comprising pyrene derivatives LG CHEM. LTD. (KR) 2010-05-11 US disclosed
US-7714323-B2 Organic thin film comprising pyrene derivatives LG CHEM. LTD. (KR) 2010-05-11 US disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 US disclosed
US-20070069203-A1 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2007-03-29 US disclosed
US-20070023749-A1 Organic thin film transistor LG CHEM, LTD (KR) 2007-02-01 US disclosed
US-20070023749-A1 Organic thin film transistor LG CHEM, LTD (KR) 2007-02-01 US disclosed
WO-2007004803-A2 ORGANIC THIN FILM TRANSISTOR LG CHEM, LTD. (KR) 2007-01-11 WO disclosed