SCHEMBL16305278

SCHEMBL16305278

c1ccc(-n2c(-c3cc(-c4nc(-c5ccncc5)cc(-c5ccncc5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AOC3 Q16853 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RECQL P46063 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
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ CACNG2 Q9Y698 1/20 0.42
▸ GSR P00390 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL16305274 0.92 ESR1 (0.57) ESR2ESR1KMT2AMEN1HTT
SCHEMBL14225196 0.92 ESR1 (0.57) ESR2ESR1KMT2AMEN1HTT
SCHEMBL19397541 0.89 KMT2A (0.50) ESR2ESR1KMT2AMEN1HTT
SCHEMBL19397591 0.89 KMT2A (0.50) ESR2ESR1KMT2AMEN1HTT
SCHEMBL19397445 0.88 KMT2A (0.49) ESR2ESR1KMT2AMEN1HTT
SCHEMBL14225283 0.88 ESR1 (0.56) ESR2ESR1KMT2AMEN1HTT
SCHEMBL22513606 0.87 ESR2 (0.55) ESR2ESR1KMT2AMEN1HTT
SCHEMBL22507362 0.87 ESR2 (0.55) ESR2ESR1KMT2AMEN1HTT
SCHEMBL24353069 0.85 ESR1 (0.56) ESR2ESR1KMT2AMEN1HTT
SCHEMBL15081867 0.85 ESR2 (0.56) ESR2ESR1KMT2AMEN1HTT

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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