Iodide

Iodide

SCHEMBL2015775

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccc(C(=O)NCC(=O)OC)cc21.[I-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 5/20 0.47
DRD5 P21918 1/20 0.47
SCNN1B P51168 1/20 0.47
SCNN1G P51170 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACSS2 Q9NR19 5/20 0.34
XDH P47989 2/20 0.33
ROCK2 O75116 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PLAU P00749 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL12636302 0.99 SCNN1A (0.47) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015886 0.93 SCNN1A (0.48) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2017681 0.92 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021178 0.91 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021015 0.90 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635759 0.90 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636282 0.89 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020245 0.88 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634909 0.87 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2015389 0.87 SCNN1A (0.51) 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 2 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