SCHEMBL174561

SCHEMBL174561

CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3cccc(Cl)c3)s2)cc1

nearest known ligand 0.92

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.92
RORB Q92753 2/20 0.83
NR1I2 O75469 1/20 0.76

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
SCHEMBL175507 0.96 RORC (1.00) RORCRORBNR1I2
SCHEMBL174641 0.95 RORC (1.00) RORCRORBNR1I2
SCHEMBL175457 0.95 RORC (0.89) RORCRORBNR1I2
SCHEMBL175183 0.91 RORC (1.00) RORCRORB
SCHEMBL175486 0.90 RORC (0.93) RORCRORBNR1I2
SCHEMBL175371 0.90 RORC (1.00) RORCRORBNR1I2
SCHEMBL174114 0.90 RORC (1.00) RORCRORBNR1I2
SCHEMBL174154 0.90 RORC (0.85) RORCRORBNR1I2
SCHEMBL175040 0.90 RORC (1.00) RORCRORBNR1I2
SCHEMBL175493 0.88 RORC (1.00) RORCRORBNR1I2

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