SCHEMBL5134039

c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cccc6c5c4CC6)cc3)cc2)c2ccc3cccc4c3c2CC4)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc2cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP11B1	P15538	1/20	0.33

▸	CYP11B2	P19099	1/20	0.33

▸	SIGMAR1	Q99720	2/20	0.31

▸	LTC4S	Q16873	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.30

▸	HTT	P42858	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
SCHEMBL5342911	1.00	CYP11B1 (0.33)	CYP11B1CYP11B2SIGMAR1LTC4SKDM4E
SCHEMBL3639121	1.00	CYP11B1 (0.33)	CYP11B1CYP11B2SIGMAR1LTC4SKDM4E
SCHEMBL4610919	0.98	CYP11B1 (0.32)	CYP11B1CYP11B2
SCHEMBL3633903	0.93	CYP11B1 (0.36)	CYP11B1CYP11B2LTC4S
SCHEMBL6270331	0.92	KDM4E (0.32)	KDM4E
SCHEMBL6273615	0.92	KDM4E (0.32)	KDM4E
SCHEMBL4777019	0.91	CYP11B1 (0.35)	CYP11B1CYP11B2SIGMAR1LTC4S
SCHEMBL5670861	0.91	KDM4E (0.32)	KDM4E
SCHEMBL29673996	0.86	CYP11B1 (0.41)	CYP11B1CYP11B2LTC4SKDM4E
SCHEMBL75627	0.86	CYP11B1 (0.41)	CYP11B1CYP11B2LTC4SKDM4E

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1955384-A1	ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE	EASTMAN KODAK COMPANY (US)	2008-08-13	—	—	EP	disclosed
WO-2007064493-A1	ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE	EASTMAN KODAK COMPANY (US)	2007-06-07	—	—	WO	disclosed