SCHEMBL2015389

SCHEMBL2015389

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 9/20 0.51
DRD5 P21918 1/20 0.51
SCNN1B P51168 1/20 0.51
SCNN1G P51170 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
CYP1A2 P05177 3/20 0.35
GLA P06280 3/20 0.35
CYP2D6 P10635 3/20 0.35
THPO P40225 3/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 2/20 0.35
HIF1A Q16665 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
FTO Q9C0B1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Iodide SCHEMBL2020245 0.99 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634909 0.93 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634862 0.93 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2017681 0.92 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2016200 0.92 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635759 0.92 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015886 0.91 SCNN1A (0.48) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636282 0.91 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021178 0.91 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021015 0.90 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO claimed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed