SCHEMBL16772010

N#C/C(c1ccccc1C#N)=c1/cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)/c(=C(\C#N)c2ccccc2C#N)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	TAS2R14	Q9NYV8	2/20	0.38

▸	AR	P10275	5/20	0.36

▸	PTPN5	P54829	1/20	0.36

▸	PGR	P06401	1/20	0.36

▸	GPBAR1	Q8TDU6	1/20	0.36

▸	RORB	Q92753	2/20	0.36

▸	CTSS	P25774	1/20	0.35

▸	RORC	P51449	1/20	0.34

▸	KDM4E	B2RXH2	2/20	0.33

▸	TACR1	P25103	2/20	0.33

▸	CYP11B1	P15538	1/20	0.33

▸	CYP11B2	P19099	1/20	0.33

▸	XDH	P47989	1/20	0.33

▸	HTR1A	P08908	1/20	0.33

▸	HTR7	P34969	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.32

▸	GAA	P10253	1/20	0.32

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
SCHEMBL16772024	0.82	CTSA (0.34)	ARPTPN5PGR
SCHEMBL16771984	0.77	CES2 (0.40)	CTSSGAA
SCHEMBL16771982	0.76	KIF11 (0.45)	PTPN5
SCHEMBL16771993	0.75	RXFP1 (0.41)	PTPN5CTSS
SCHEMBL16771997	0.74	RXRA (0.39)	TAS2R14GPBAR1CTSSXDH
SCHEMBL16772042	0.73	RPS6KA3 (0.33)	ARCTSS
SCHEMBL16771999	0.73	AKR1C3 (0.33)	CTSS
SCHEMBL16772041	0.72	CTSS (0.33)	CTSS
SCHEMBL16772104	0.72	CYP11B2 (0.48)	ARPGRCYP11B1CYP11B2
SCHEMBL16771960	0.72	RPS6KA3 (0.38)	RORBCTSS

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