Iodide

Iodide

SCHEMBL2015886

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

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 5/20 0.48
DRD5 P21918 1/20 0.48
SCNN1B P51168 1/20 0.48
SCNN1G P51170 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CTSA P10619 2/20 0.35
ACSS2 Q9NR19 3/20 0.35
ROCK2 O75116 1/20 0.34
PIK3CA P42336 5/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
NPC1 O15118 2/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FTO Q9C0B1 2/20 0.33

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
SCHEMBL2017681 0.99 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021178 0.93 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015775 0.93 SCNN1A (0.47) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020245 0.92 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635759 0.92 SCNN1A (0.50) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636302 0.92 SCNN1A (0.47) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2015389 0.91 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634909 0.90 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2018413 0.89 SCNN1A (0.46) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021015 0.89 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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