SCHEMBL18079864

SCHEMBL18079864

c1ccc(-n2c(-c3ccc(-c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cc3)nc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
MAPK10 P53779 6/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL27284089 0.95 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19369877 0.95 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24353074 0.94 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776030 0.94 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18079849 0.93 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19992798 0.93 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172062 0.91 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19397639 0.91 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172012 0.90 ESR1 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776007 0.90 ESR1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 US disclosed