SCHEMBL175604

SCHEMBL175604

CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3Cl)s2)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.83
RORB Q92753 3/20 0.83
NR1I2 O75469 1/20 0.83
RORA P35398 1/20 0.81

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
SCHEMBL175214 0.95 RORC (0.85) RORCRORBNR1I2RORA
SCHEMBL175444 0.91 RORC (0.83) RORCRORBNR1I2RORA
SCHEMBL175269 0.91 RORC (1.00) RORCRORBNR1I2RORA
SCHEMBL174479 0.89 RORC (1.00) RORCRORBNR1I2RORA
SCHEMBL175371 0.89 RORC (1.00) RORCRORBNR1I2
SCHEMBL175635 0.88 RORC (0.86) RORCRORBNR1I2RORA
SCHEMBL175357 0.88 RORC (0.91) RORCRORBNR1I2
SCHEMBL175486 0.88 RORC (0.93) RORCRORBNR1I2
SCHEMBL175284 0.87 RORC (0.84) RORCRORBNR1I2RORA
SCHEMBL174891 0.86 RORC (0.78) RORCRORBNR1I2RORA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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