SCHEMBL16771978

SCHEMBL16771978

N#Cc1ccc(C2=CC(=O)C(c3ccc(C#N)c(F)c3)=CC2=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
CYP11B2 P19099 17/20 0.49
CYP11B1 P15538 15/20 0.49
EGLN2 Q96KS0 2/20 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
SCHEMBL16772008 0.87 TRPV4 (0.41) TRPV4CYP11B2CYP11B1EGLN2
SCHEMBL18297999 0.80 CYP11B2 (0.67) TRPV4CYP11B2CYP11B1
SCHEMBL9612021 0.78 CYP11B2 (0.68) TRPV4CYP11B2CYP11B1
SCHEMBL27730641 0.74 HSD17B3 (0.49)
SCHEMBL12496622 0.73 CYP11B2 (0.77) TRPV4CYP11B2CYP11B1
SCHEMBL24872453 0.73 TRPV4 (0.39) TRPV4CYP11B2CYP11B1EGLN2
SCHEMBL1514257 0.72 CYP11B1 (0.78) TRPV4CYP11B2CYP11B1
SCHEMBL30132416 0.72 CYP11B1 (0.78) TRPV4CYP11B2CYP11B1
SCHEMBL27432180 0.72 CYP11B2 (0.68) TRPV4CYP11B2CYP11B1
SCHEMBL5327983 0.70 CYP11B2 (0.58) TRPV4CYP11B2CYP11B1

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