SCHEMBL21240042

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccc(-c%15cccc(-c%16nc(-c%17ccccc%17)nc(-c%17cccc(-n%18c%19ccccc%19c%19cc(-c%20ccc%21c%22ccccc%22n(-c%22ccccc%22)c%21c%20)ccc%19%18)c%17)n%16)c%15)cc%14)cccc%13%12)cc%11)n%10)c9)c8)c7c6)ccc54)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.36

▸	ATM	Q13315	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	ALK	Q9UM73	2/20	0.34

▸	PDE10A	Q9Y233	1/20	0.34

▸	PTGER4	P35408	1/20	0.34

▸	HDAC4	P56524	1/20	0.33

▸	AVPR1A	P37288	1/20	0.31

▸	TSPO	P30536	1/20	0.31

▸	MEN1	O00255	1/20	0.30

▸	GAA	P10253	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

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.

Compound	similarity	top predicted	shared targets
SCHEMBL21655701	1.00	KDM4E (0.36)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL24573420	0.99	KDM4E (0.37)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL20244094	0.98	KDM4E (0.38)	KDM4EATML3MBTL1ALKPTGER4
SCHEMBL21240898	0.97	KDM4E (0.38)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL20244079	0.97	KDM4E (0.38)	KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17714904	0.97	KDM4E (0.38)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL21249224	0.96	KDM4E (0.38)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL22672211	0.96	KDM4E (0.39)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL22672077	0.96	KDM4E (0.39)	KDM4EATML3MBTL1ALKPDE10A
SCHEMBL22672319	0.96	KDM4E (0.39)	KDM4EATML3MBTL1ALKPDE10A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20190245152-A1	ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE	IDEMITSU KOSAN CO., LTD. (JP)	2019-08-08	—	—	US	disclosed