SCHEMBL178186

SCHEMBL178186

Nc1nc(-c2ccccc2Cl)c(C(=O)c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 10/20 0.54
RORC P51449 2/20 0.49
MYC P01106 1/20 0.48
WDR5 P61964 1/20 0.48
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CHRM4 P08173 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK14 Q16539 2/20 0.43
NPC1 O15118 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 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
SCHEMBL257613 0.92 RORB (0.52) RORBRORCMYCWDR5ALDH1A1
SCHEMBL257394 0.89 RORB (0.61) RORBRORCMYCWDR5CCNA2
SCHEMBL30395217 0.87 MYC (0.51) RORBRORCMYCWDR5ALDH1A1
SCHEMBL11274884 0.87 MYC (0.51) RORBRORCMYCWDR5ALDH1A1
SCHEMBL257203 0.86 RORB (0.67) RORBRORCMYCWDR5ALDH1A1
SCHEMBL2489836 0.84 MYC (0.51) RORBRORCMYCWDR5CDK2
SCHEMBL165773 0.81 ADORA3 (0.61) RORBALDH1A1MAPTGAAHTT
SCHEMBL178218 0.81 ADORA3 (0.60) RORBRORCALDH1A1MAPTHTT
SCHEMBL29058658 0.80 CDC7 (0.49) RORBRORCMYCWDR5ALDH1A1
SCHEMBL257616 0.78 ADORA3 (0.64) RORBALDH1A1MAPTMAPK1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed