SCHEMBL174165

SCHEMBL174165

CCS(=O)(=O)c1ccccc1CC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.72
RORB Q92753 1/20 0.72
ADORA3 P0DMS8 3/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ADORA2B P29275 1/20 0.59
MAPT P10636 1/20 0.57
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54

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
SCHEMBL175183 0.84 RORC (1.00) RORCRORB
SCHEMBL175290 0.82 RORC (0.81) RORCRORB
SCHEMBL175300 0.80 RORC (0.89) RORCRORB
SCHEMBL178242 0.79 RORC (0.80) RORCRORB
SCHEMBL175258 0.79 RORC (0.83) RORCRORB
SCHEMBL175486 0.78 RORC (0.93) RORCRORB
SCHEMBL175371 0.78 RORC (1.00) RORCRORB
SCHEMBL175194 0.78 RORC (0.86) RORCRORB
SCHEMBL175493 0.78 RORC (1.00) RORCRORB
SCHEMBL175661 0.77 RORC (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed