SCHEMBL257432

SCHEMBL257432

Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccccc2)s1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORB Q92753 12/20 0.74
RORC P51449 2/20 0.52
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
ADORA2B P29275 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL257615 0.94 RORB (0.72) RORBRORCADORA2ACCNA2CDK2
SCHEMBL10092883 0.92 RORB (0.67) RORBRORCADORA3ADORA2AADORA1
SCHEMBL10092885 0.92 RORB (0.70) RORBRORCADORA3ADORA2AADORA1
SCHEMBL257436 0.89 RORB (0.66) RORBRORCLMNA
SCHEMBL10092890 0.88 RORB (0.65) RORBRORCCCNA2CDK2
SCHEMBL165773 0.86 ADORA3 (0.61) RORBADORA3ADORA2AADORA1ADORA2B
SCHEMBL178218 0.85 ADORA3 (0.60) RORBRORCADORA3ADORA2AADORA1
SCHEMBL257616 0.85 ADORA3 (0.64) RORBADORA3ADORA2AADORA1ADORA2B
SCHEMBL257572 0.85 RORB (1.00) RORBRORC
SCHEMBL257393 0.85 RORB (0.60) RORBRORCADORA3ADORA2AADORA1

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