SCHEMBL257436

SCHEMBL257436

Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccc(F)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORB Q92753 15/20 0.66
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.55
RORC P51449 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10092885 0.91 RORB (0.70) RORBMAPTTP53LMNARORC
SCHEMBL10092890 0.89 RORB (0.65) RORBRORC
SCHEMBL257432 0.89 RORB (0.74) RORBLMNARORC
SCHEMBL257615 0.88 RORB (0.72) RORBRORC
SCHEMBL2315038 0.83 CCNA2 (0.47) RORBMAPTRORCMEN1KMT2A
SCHEMBL257434 0.82 RORB (0.79) RORBRORC
SCHEMBL10092883 0.81 RORB (0.67) RORBRORC
SCHEMBL2493975 0.81 RORB (0.69) RORBKMT2A
SCHEMBL257616 0.80 ADORA3 (0.64) RORBMAPTLMNAMEN1KMT2A
SCHEMBL257572 0.80 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