SCHEMBL175486

SCHEMBL175486

CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.93
RORB Q92753 2/20 0.88
NR1I2 O75469 1/20 0.69

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
SCHEMBL175371 0.96 RORC (1.00) RORCRORBNR1I2
SCHEMBL175357 0.95 RORC (0.91) RORCRORBNR1I2
SCHEMBL175183 0.93 RORC (1.00) RORCRORB
SCHEMBL175040 0.92 RORC (1.00) RORCRORBNR1I2
SCHEMBL174641 0.90 RORC (1.00) RORCRORBNR1I2
SCHEMBL174561 0.90 RORC (0.92) RORCRORBNR1I2
SCHEMBL175194 0.90 RORC (0.86) RORCRORB
SCHEMBL175494 0.89 RORC (0.90) RORCRORBNR1I2
SCHEMBL175661 0.89 RORC (0.84) RORCRORB
SCHEMBL175457 0.89 RORC (0.89) 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