SCHEMBL10092885

SCHEMBL10092885

Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORB Q92753 12/20 0.70
RORC P51449 2/20 0.52
ADORA3 P0DMS8 3/20 0.51
ADORA1 P30542 2/20 0.51
ADORA2A P29274 1/20 0.51
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL257432 0.92 RORB (0.74) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL257436 0.91 RORB (0.66) RORBRORCLMNATP53MAPT
SCHEMBL257615 0.91 RORB (0.72) RORBRORCADORA2A
SCHEMBL257616 0.88 ADORA3 (0.64) RORBADORA3ADORA1ADORA2ALMNA
SCHEMBL257393 0.87 RORB (0.60) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL257438 0.86 ADORA3 (0.54) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL10092890 0.85 RORB (0.65) RORBRORC
SCHEMBL10092883 0.85 RORB (0.67) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL2493975 0.84 RORB (0.69) RORB
SCHEMBL178218 0.83 ADORA3 (0.60) RORBRORCADORA3ADORA1ADORA2A

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