SCHEMBL169403

SCHEMBL169403

CN(C)Cc1cccc(-c2nc(N)sc2C(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.58
RORB Q92753 7/20 0.51
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2B P29275 2/20 0.43
PKM P14618 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
SCHEMBL165773 0.80 ADORA3 (0.61) RORBALDH1A1HSD17B10ADORA2AADORA1
SCHEMBL168009 0.79 ALOX5 (0.55) RORCALDH1A1ADORA2AADORA1LMNA
SCHEMBL257432 0.79 RORB (0.74) RORCRORBALDH1A1HSD17B10ADORA2A
SCHEMBL174332 0.78 SMN1; SMN2 (0.54) RORBALDH1A1HSD17B10ADORA1LMNA
SCHEMBL12496026 0.76 ATP4A (0.47) RORCRORBALDH1A1HSD17B10ATP4A
SCHEMBL175512 0.76 RORB (0.54) RORCRORBALDH1A1HSD17B10ADORA2A
SCHEMBL10092891 0.74 RORC (1.00) RORCRORB
SCHEMBL19496819 0.74 AOC3 (0.56) ALDH1A1
SCHEMBL10092883 0.74 RORB (0.67) RORCRORBALDH1A1HSD17B10ADORA2A
SCHEMBL27653923 0.73 ALDH1A1 (0.64) RORCRORBALDH1A1HSD17B10HTT

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