SCHEMBL12611887

SCHEMBL12611887

c1ccc(-n2c(-c3ccc4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccc3c4c65)nc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.46
▸ ESR2 Q92731 5/20 0.46
▸ ESR1 P03372 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ CACNG2 Q9Y698 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL12611786 0.90 RECQL (0.44) RECQLESR2ESR1KDM4EATM
SCHEMBL11954062 0.89 RECQL (0.47) RECQLESR2ESR1KDM4EL3MBTL1
SCHEMBL9976950 0.88 ESR2 (0.60) RECQLESR2ESR1KDM4EGRIA1
SCHEMBL16483463 0.87 MEN1 (0.45) RECQLESR2ESR1GRIA1CACNG8
SCHEMBL16604615 0.87 ESR1 (0.54) RECQLESR2ESR1KDM4EATM
SCHEMBL12912518 0.87 ESR2 (0.44) RECQLESR2ESR1GRIA1CACNG8
SCHEMBL15803041 0.87 RECQL (0.45) RECQLESR2ESR1KDM4EGRIA1
SCHEMBL12731470 0.85 ESR1 (0.44) RECQLESR2ESR1KDM4EATM
SCHEMBL10041759 0.85 ESR1 (0.51) RECQLESR2ESR1KDM4EGRIA1
SCHEMBL16484865 0.85 RECQL (0.48) RECQLESR2ESR1KDM4EGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882141-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-9882141-B2 Pyrene-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 — — US disclosed
US-20140167007-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-19 — — US disclosed
US-20140167007-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-19 — — US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 — — US disclosed
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