SCHEMBL12571663

SCHEMBL12571663

c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c6c5)c5ccccc45)cc3)nc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
PTGER4 P35408 1/20 0.43
MAPK10 P53779 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL12571687 1.00 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17755355 0.99 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17755350 0.99 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24813302 0.99 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25668081 0.99 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17368997 0.99 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25725 0.99 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571689 0.99 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL29403380 0.99 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571666 0.98 PTGER4 (0.45) ESR1ESR2GRIA1CACNG8CACNG2

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-1991514-B1 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-12-20 EP disclosed
US-7965032-B2 Anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2011-06-21 US disclosed
US-7965032-B2 Anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2011-06-21 US disclosed
WO-2007102683-A1 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2007-09-13 WO disclosed
US-20070205412-A1 Novel anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2007-09-06 US disclosed
US-20070205412-A1 Novel anthracene derivative and organic electronic device using the same LG CHEM, LTD. (KR) 2007-09-06 US disclosed