SCHEMBL16305274

SCHEMBL16305274

c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.57
▸ ESR2 Q92731 2/20 0.57
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ PRKACA P17612 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ CACNG8 Q8WXS5 1/20 0.46
▸ CACNG2 Q9Y698 1/20 0.46
▸ ATR Q13535 1/20 0.42
▸ GSR P00390 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL14225196 1.00 ESR1 (0.57) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL14225283 0.96 ESR1 (0.56) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL24353069 0.93 ESR1 (0.56) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL16305278 0.92 ESR2 (0.49) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL14225204 0.91 ESR1 (0.49) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL22507313 0.91 ESR2 (0.60) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL22513591 0.91 ESR2 (0.60) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL25921221 0.91 ESR1 (0.53) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL14225145 0.90 ESR2 (0.58) ESR1ESR2MAPK1HTTHDAC1
SCHEMBL21158506 0.89 ESR1 (0.56) ESR1ESR2MAPK1HTTHDAC1

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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