SCHEMBL16771992

SCHEMBL16771992

N#CC(C#N)=c1cc(-c2ccc(C#N)c(F)c2)c(=C(C#N)C#N)cc1-c1ccc(C#N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 19/20 0.47
CYP11B1 P15538 17/20 0.47
TRPV4 Q9HBA0 1/20 0.44

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
SCHEMBL16772030 0.87 CNR2 (0.42) CYP11B2CYP11B1TRPV4
SCHEMBL16772064 0.84 CYP11B2 (0.37) CYP11B2CYP11B1TRPV4
SCHEMBL16772047 0.84 XDH (0.38) CYP11B2CYP11B1
SCHEMBL21917287 0.78 CYP11B2 (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL23968846 0.78 CYP11B2 (0.43) CYP11B2CYP11B1TRPV4
SCHEMBL18297999 0.78 CYP11B2 (0.67) CYP11B2CYP11B1TRPV4
SCHEMBL16772048 0.77 CES2 (0.31)
SCHEMBL16772019 0.77 PTGS1 (0.38)
SCHEMBL9612021 0.76 CYP11B2 (0.68) CYP11B2CYP11B1TRPV4
SCHEMBL20930522 0.75 CYP11B2 (0.48) CYP11B2CYP11B1

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