Iodide

Iodide

SCHEMBL2014693

CCn1c(COC(=O)c2nc(Cl)c(N)nc2N)[n+](CC)c2ccc(-c3ccc(OC)cc3)cc21.[I-]

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 6/20 0.37
DRD5 P21918 1/20 0.37
SCNN1B P51168 1/20 0.37
SCNN1G P51170 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TARBP2 Q15633 2/20 0.33
PDCD4 Q53EL6 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
THRB P10828 1/20 0.33
PABPC1 P11940 1/20 0.33
PDE5A O76074 1/20 0.33
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32

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 SCHEMBL2022260 0.94 SCNN1A (0.38) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2018286 0.91 SCNN1A (0.38) SCNN1AGABRA2GABRB2ALDH1A1MAPT
SCHEMBL12636304 0.90 SCNN1A (0.38) SCNN1AGABRA2GABRB2ALDH1A1MAPT
Iodide SCHEMBL2016181 0.87 SCNN1A (0.38) SCNN1AGABRA2GABRB2ALDH1A1MAPT
Iodide SCHEMBL2022550 0.87 SCNN1A (0.34) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2018595 0.87 DRD5 (0.39) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635760 0.86 SCNN1A (0.38) SCNN1AGABRA2GABRB2ALDH1A1MAPT
Iodide SCHEMBL2019947 0.86 DRD5 (0.39) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2024368 0.84 ALDH1A1 (0.36) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2016440 0.83 ALDH1A1 (0.37) 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