SCHEMBL168526

SCHEMBL168526

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

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORB Q92753 15/20 0.70
RORC P51449 3/20 0.53
MAPT P10636 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL10092890 0.84 RORB (0.65) RORBRORCCCNA2CDK2
SCHEMBL2492021 0.82 RORB (0.69) RORBRORCADORA1
SCHEMBL6258242 0.82 RORB (0.69) RORBRORCADORA1
SCHEMBL178204 0.81 CDK5 (0.58) RORBRORCCCNA2CDK2ADORA1
SCHEMBL257142 0.79 RORB (1.00) RORBRORC
SCHEMBL168675 0.76 RORB (0.46) RORBRORCMAPT
SCHEMBL11165291 0.76 ALDH1A1 (0.69) RORBRORCMAPT
SCHEMBL257615 0.75 RORB (0.72) RORBRORCCCNA2CDK2
SCHEMBL14417425 0.74 CCNA2 (0.48) RORBCCNA2CDK2
SCHEMBL257436 0.74 RORB (0.66) RORBRORCMAPT

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