SCHEMBL168009

SCHEMBL168009

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3cccc(CN(C)C)c3)c(C(=O)c3ccccc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
RORC P51449 1/20 0.53
ADORA2A P29274 3/20 0.49
ACHE P22303 1/20 0.47
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 4/20 0.47
HSD17B2 P37059 2/20 0.44
MEP1B Q16820 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KARS1 Q15046 1/20 0.43
MEP1A Q16819 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL20286599 0.89 ALOX5 (0.67) ALOX5ADORA2AACHEADORA1ADORA3
SCHEMBL257205 0.89 ALOX5 (0.57) ALOX5ADORA2AACHEADORA1ADORA3
SCHEMBL4746033 0.85 ALOX5 (0.62) ALOX5ADORA2AACHEADORA1ADORA3
SCHEMBL169403 0.79 RORC (0.58) RORCADORA2AADORA1ADORA3HTT
SCHEMBL4746826 0.78 ALOX5 (0.57) ALOX5ADORA2AACHEADORA1ADORA3
SCHEMBL168675 0.78 RORB (0.46) ALOX5RORCMEN1KMT2ALMNA
SCHEMBL8154046 0.77 ALOX5 (0.52) ALOX5ADORA2AACHEADORA1ADORA3
SCHEMBL4746026 0.71 ADORA2A (0.49) ALOX5RORCADORA2AADORA1ADORA3
SCHEMBL10092891 0.70 RORC (1.00) RORC
SCHEMBL19496819 0.68 AOC3 (0.56) HSD17B2ALDH1A1

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