SCHEMBL18905005

SCHEMBL18905005

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PTGER4 P35408 1/20 0.46
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GSK3B P49841 1/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 2/20 0.39
MAPK1 P28482 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
SCHEMBL16118053 0.98 PTGER4 (0.48) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL16118052 0.98 PTGER4 (0.48) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL16805777 0.97 ESR1 (0.47) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL15481624 0.97 ESR1 (0.50) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL16118054 0.97 ESR1 (0.51) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL16118050 0.97 ESR1 (0.51) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL15481614 0.96 ESR1 (0.51) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL15481623 0.96 ESR1 (0.51) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL20715084 0.95 ESR1 (0.46) ESR1ESR2PTGER4GRIA1CACNG8
SCHEMBL15446590 0.94 ESR1 (0.52) ESR1ESR2PTGER4GRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210184119-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-06-17 US disclosed
US-20170155049-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-20170155049-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed