SCHEMBL16305275

SCHEMBL16305275

c1ccc(-n2c(-c3cc(-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.48
▸ ESR2 Q92731 2/20 0.48
▸ MAPK10 P53779 5/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ CACNG2 Q9Y698 1/20 0.44
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ RECQL P46063 1/20 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
▸ CYP1A2 P05177 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGS2 P35354 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
SCHEMBL14225214 1.00 ESR1 (0.48) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL14225204 0.98 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL18079849 0.95 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL14225296 0.93 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL14225153 0.91 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL19369872 0.91 ESR1 (0.50) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL15172009 0.90 ESR1 (0.58) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL15172018 0.90 ESR2 (0.50) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL19397529 0.90 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT
SCHEMBL19369871 0.90 ESR1 (0.49) ESR1ESR2MAPK10MAPK1HTT

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-9136480-B2 Organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-15 — — US disclosed
US-9136480-B2 Organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-15 — — US disclosed
US-20140367656-A1 ORGANIC LIGHT-EMITTING DIODE SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-18 — — US disclosed
US-20140367656-A1 ORGANIC LIGHT-EMITTING DIODE SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-18 — — US disclosed
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