SCHEMBL16771997

SCHEMBL16771997

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
RXRG P48443 2/20 0.39
MRGPRX4 Q96LA9 4/20 0.36
KIF11 P52732 1/20 0.36
CES2 O00748 1/20 0.35
XDH P47989 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.33
RXRB P28702 1/20 0.33
RPS6KA3 P51812 1/20 0.32
JAK3 P52333 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
RXFP1 Q9HBX9 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16771984 0.90 CES2 (0.40) RXRARXRGCES2RXRBRPS6KA3
SCHEMBL16771982 0.87 KIF11 (0.45) RXRARXRGKIF11TMPRSS4RXRB
SCHEMBL16771993 0.87 RXFP1 (0.41) RXRARXRGKIF11CES2TMPRSS4
SCHEMBL16772075 0.78 RXRA (0.45) RXRARXRGMRGPRX4KIF11CES2
SCHEMBL16772011 0.78 RXRA (0.45) RXRARXRGMRGPRX4KIF11XDH
SCHEMBL16772133 0.77 MMP3 (0.40) KIF11XDH
SCHEMBL16772042 0.77 RPS6KA3 (0.33) RXRARXRGCES2RXRBRPS6KA3
SCHEMBL16771999 0.77 AKR1C3 (0.33) RXRARXRGCES2RXRBRPS6KA3
SCHEMBL16772118 0.76 KIF11 (0.57) KIF11PTGDR2RXFP1
SCHEMBL24133943 0.75 CES2 (0.41) RXRARXRGMRGPRX4KIF11CES2

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.

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