SCHEMBL16772011

N#CC(C#N)=c1cc(-c2cc(-c3cc(C#N)cc(C#N)c3)cc(C(F)(F)F)c2)c(=C(C#N)C#N)cc1-c1cc(-c2cc(C#N)cc(C#N)c2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	RXRA	P19793	2/20	0.45

▸	RXRG	P48443	2/20	0.45

▸	XDH	P47989	1/20	0.38

▸	KIF11	P52732	1/20	0.37

▸	CYP1A2	P05177	1/20	0.34

▸	METAP2	P50579	1/20	0.34

▸	TAS2R14	Q9NYV8	1/20	0.32

▸	PTGDR2	Q9Y5Y4	2/20	0.32

▸	MRGPRX4	Q96LA9	2/20	0.32

▸	TMPRSS4	Q9NRS4	1/20	0.31

▸	RXRB	P28702	1/20	0.30

▸	PTPN5	P54829	1/20	0.30

▸	RPS6KA3	P51812	1/20	0.30

▸	JAK3	P52333	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
SCHEMBL16772075	0.97	RXRA (0.45)	RXRARXRGXDHKIF11CYP1A2
SCHEMBL16772061	0.89	RXRA (0.38)	RXRARXRGKIF11RXRBRPS6KA3
SCHEMBL16772051	0.87	TTR (0.32)	—
SCHEMBL16771960	0.86	RPS6KA3 (0.38)	RXRARXRGKIF11TMPRSS4RXRB
SCHEMBL16772049	0.84	TTR (0.34)	—
SCHEMBL16772060	0.84	RXRA (0.38)	RXRARXRGRXRBRPS6KA3JAK3
SCHEMBL16772069	0.83	GRM5 (0.37)	—
SCHEMBL16772089	0.79	AKR1C3 (0.30)	RPS6KA3JAK3
SCHEMBL16771997	0.78	RXRA (0.39)	RXRARXRGXDHKIF11CYP1A2
SCHEMBL16772012	0.78	ALDH1A1 (0.30)	—

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-20150155490-A1	ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME	LG DISPLAY CO., LTD. (KR)	2015-06-04	—	—	US	disclosed