SCHEMBL12465880

SCHEMBL12465880

CS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(C#N)c3)cs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.64
RORA P35398 1/20 0.50
ROCK1 Q13464 2/20 0.49
CYP3A4 P08684 1/20 0.49
PRKACA P17612 1/20 0.47

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
SCHEMBL12465749 0.91 RORC (0.76) RORCRORA
SCHEMBL12467541 0.85 RORC (0.64) RORCROCK1CYP3A4PRKACA
SCHEMBL12465765 0.85 RORC (0.83) RORCROCK1CYP3A4PRKACA
SCHEMBL12467502 0.80 RORC (0.77) RORCRORA
SCHEMBL12467638 0.76 RORC (0.72) RORC
SCHEMBL12465808 0.76 RORC (0.78) RORC
SCHEMBL12465791 0.76 RORC (1.00) RORC
SCHEMBL12465767 0.76 RORC (0.78) RORC
SCHEMBL12466032 0.76 RORC (0.78) RORC
SCHEMBL12465887 0.75 RORC (0.70) RORCRORA

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-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed