SCHEMBL256653

SCHEMBL256653

Nc1nc(-c2ccc(Cl)cc2)c(C(=O)c2ccccc2F)s1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORB Q92753 16/20 0.59
RORC P51449 1/20 0.56
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 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
SCHEMBL257269 0.90 RORB (0.60) RORBRORCMAPTALDH1A1SMN1; SMN2
SCHEMBL257437 0.87 RORB (0.76) RORBRORCPOLBMAPTMEN1
SCHEMBL257434 0.87 RORB (0.79) RORBRORC
SCHEMBL178218 0.82 ADORA3 (0.60) RORBRORCPOLBMAPTMEN1
SCHEMBL257438 0.80 ADORA3 (0.54) RORBRORCPOLBMAPTMEN1
SCHEMBL257608 0.79 RORB (0.83) RORBRORCPOLBMAPTALDH1A1
SCHEMBL257616 0.79 ADORA3 (0.64) RORBMAPTMEN1ALDH1A1KMT2A
SCHEMBL178204 0.78 CDK5 (0.58) RORBRORCPOLB
SCHEMBL2491634 0.77 POLB (0.55) RORBPOLBMAPTMEN1ALDH1A1
SCHEMBL1255464 0.77 MEN1 (0.50) RORBRORCPOLBMAPTMEN1

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