SCHEMBL16772008

SCHEMBL16772008

N#CC(C#N)=C1C=C(c2ccc(C#N)c(F)c2)C(=O)C=C1c1ccc(C#N)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
CYP11B2 P19099 18/20 0.40
CYP11B1 P15538 16/20 0.40
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL16771978 0.87 TRPV4 (0.52) TRPV4CYP11B2CYP11B1EGLN2
SCHEMBL24872453 0.74 TRPV4 (0.39) TRPV4CYP11B2CYP11B1EGLN2
SCHEMBL18297999 0.70 CYP11B2 (0.67) TRPV4CYP11B2CYP11B1
SCHEMBL16771992 0.69 CYP11B2 (0.47) TRPV4CYP11B2CYP11B1
SCHEMBL9612021 0.68 CYP11B2 (0.68) TRPV4CYP11B2CYP11B1
SCHEMBL20930522 0.68 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL24872454 0.67 TRPV4 (0.37) TRPV4CYP11B2CYP11B1
SCHEMBL21917287 0.65 CYP11B2 (0.43) TRPV4CYP11B2CYP11B1
SCHEMBL23968846 0.65 CYP11B2 (0.43) TRPV4CYP11B2CYP11B1
SCHEMBL20930818 0.65 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