SCHEMBL257613

SCHEMBL257613

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORB Q92753 9/20 0.52
GABRA1 P14867 1/20 0.48
GABRA5 P31644 1/20 0.48
RORC P51449 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL178186 0.92 RORB (0.54) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL257394 0.86 RORB (0.61) RORBRORCADORA1ADORA2AMYC
SCHEMBL257616 0.84 ADORA3 (0.64) RORBGABRA1GABRA5ADORA3ADORA1
SCHEMBL257203 0.84 RORB (0.67) RORBRORCMYCWDR5ALDH1A1
SCHEMBL2489836 0.82 MYC (0.51) RORBRORCMYCWDR5ALDH1A1
SCHEMBL30395217 0.82 MYC (0.51) RORBRORCMYCWDR5MAPT
SCHEMBL11274884 0.82 MYC (0.51) RORBRORCMYCWDR5MAPT
SCHEMBL257438 0.82 ADORA3 (0.54) RORBGABRA1GABRA5RORCADORA3
SCHEMBL178218 0.81 ADORA3 (0.60) RORBRORCADORA3ADORA1ADORA2A
SCHEMBL10092885 0.78 RORB (0.70) RORBRORCADORA3ADORA1ADORA2A

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