SCHEMBL257437

SCHEMBL257437

Nc1nc(-c2ccc(Cl)cc2)c(C(=O)c2ccccc2Cl)s1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 15/20 0.76
RORC P51449 1/20 0.67
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL257608 0.92 RORB (0.83) RORBRORCPOLBALDH1A1MAPT
SCHEMBL256653 0.87 RORB (0.59) RORBRORCPOLBALDH1A1MEN1
SCHEMBL257572 0.86 RORB (1.00) RORBRORC
SCHEMBL178218 0.84 ADORA3 (0.60) RORBRORCPOLBALDH1A1MEN1
SCHEMBL257203 0.84 RORB (0.67) RORBRORCPOLBALDH1A1RECQL
SCHEMBL257438 0.82 ADORA3 (0.54) RORBRORCPOLBALDH1A1MEN1
SCHEMBL257616 0.81 ADORA3 (0.64) RORBALDH1A1MEN1MAPTKMT2A
SCHEMBL257271 0.80 RORB (0.76) RORBRORCPOLBKMT2A
SCHEMBL174906 0.79 RORB (0.74) RORBRORC
SCHEMBL257142 0.79 RORB (1.00) 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