SCHEMBL12611786

SCHEMBL12611786

c1ccc(-n2c(-c3ccc4ccc5c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc6ccc3c4c65)nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.44
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37

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
SCHEMBL12611887 0.90 RECQL (0.46) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL12912433 0.87 ESR1 (0.49) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL16604617 0.86 ESR1 (0.48) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL9920754 0.86 L3MBTL1 (0.47) KDM4EHTTATML3MBTL1GAA
SCHEMBL12611554 0.86 L3MBTL1 (0.47) KDM4EHTTATML3MBTL1GAA
SCHEMBL16484865 0.85 RECQL (0.48) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL16483382 0.85 MEN1 (0.42) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL12912480 0.84 ESR1 (0.48) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL12114875 0.84 ESR1 (0.48) RECQLESR1ESR2KDM4EMAPK1
SCHEMBL9920727 0.83 L3MBTL1 (0.45) KDM4EHTTATML3MBTL1GAA

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-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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