SCHEMBL257615

SCHEMBL257615

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORB Q92753 13/20 0.72
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
RORC P51449 3/20 0.51
ALDH1A1 P00352 1/20 0.50
ADORA2A P29274 1/20 0.47
MAOB P27338 1/20 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
SCHEMBL10092883 0.94 RORB (0.67) RORBCCNA2CDK2RORCALDH1A1
SCHEMBL257432 0.94 RORB (0.74) RORBCCNA2CDK2RORCALDH1A1
SCHEMBL10092890 0.92 RORB (0.65) RORBCCNA2CDK2RORC
SCHEMBL10092885 0.91 RORB (0.70) RORBRORCADORA2A
SCHEMBL257393 0.91 RORB (0.60) RORBCCNA2CDK2RORCALDH1A1
SCHEMBL257436 0.88 RORB (0.66) RORBRORC
SCHEMBL2493975 0.85 RORB (0.69) RORBCDK2ALDH1A1
SCHEMBL257572 0.84 RORB (1.00) RORBRORC
SCHEMBL257394 0.84 RORB (0.61) RORBCCNA2CDK2RORCALDH1A1
SCHEMBL257434 0.82 RORB (0.79) RORBRORC

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