Iodide

Iodide

SCHEMBL2019947

CCn1c(COC(=O)c2nc(Cl)c(N)nc2N)[n+](CC)c2ccc(Br)cc21.[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
DRD5 P21918 1/20 0.39
SCNN1A P37088 1/20 0.39
SCNN1B P51168 1/20 0.39
SCNN1G P51170 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
PABPC1 P11940 1/20 0.35
LMNA P02545 3/20 0.35
MITF O75030 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3A P31941 3/20 0.34
APOBEC3G Q9HC16 3/20 0.34
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA2 P47869 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
Iodide SCHEMBL2014821 0.90 KDM4E (0.33) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2018595 0.90 DRD5 (0.39) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL12636299 0.89 ALDH1A1 (0.33) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2022260 0.88 SCNN1A (0.38) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2024368 0.87 ALDH1A1 (0.36) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2014693 0.86 SCNN1A (0.37) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL2016440 0.86 ALDH1A1 (0.37) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL12635937 0.86 DRD5 (0.38) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2017398 0.85 ADORA2A (0.36) DRD5SCNN1ASCNN1BSCNN1GHRH3
Iodide SCHEMBL2017707 0.85 DRD5 (0.36) DRD5SCNN1ASCNN1BSCNN1GHRH3

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