SCHEMBL257277

SCHEMBL257277

CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(C3=CCCC(C#N)=C3)c(C(=O)c3ccc(CCO)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.55
RORB Q92753 2/20 0.55
RORA P35398 1/20 0.46

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
SCHEMBL175316 0.80 RORC (0.85) RORCRORB
SCHEMBL175194 0.79 RORC (0.86) RORCRORB
SCHEMBL174203 0.75 RORC (0.83) RORCRORB
SCHEMBL175357 0.74 RORC (0.91) RORCRORB
SCHEMBL175661 0.72 RORC (0.84) RORCRORB
SCHEMBL175183 0.72 RORC (1.00) RORCRORB
SCHEMBL175486 0.72 RORC (0.93) RORCRORB
SCHEMBL175582 0.71 RORC (1.00) RORCRORB
SCHEMBL175494 0.71 RORC (0.90) RORCRORBRORA
SCHEMBL175371 0.70 RORC (1.00) RORCRORB

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
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed