Iodide

Iodide

SCHEMBL2013944

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2cc(S(C)(=O)=O)ccc21.[I-]

nearest known ligand 0.40

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 2/20 0.40
DRD5 P21918 1/20 0.40
SCNN1B P51168 1/20 0.40
SCNN1G P51170 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RORC P51449 6/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
THPO P40225 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
PMP22 Q01453 2/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
RECQL P46063 1/20 0.36

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 SCHEMBL2016200 0.86 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634862 0.85 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020382 0.84 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635755 0.83 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2014385 0.83 SCNN1A (0.43) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2018413 0.83 SCNN1A (0.46) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2013734 0.82 SCNN1A (0.41) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635751 0.82 SCNN1A (0.43) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634881 0.82 SCNN1A (0.47) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635745 0.81 SCNN1A (0.42) 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