Iodide

Iodide

SCHEMBL2018318

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

nearest known ligand 0.50

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 4/20 0.50
DRD5 P21918 1/20 0.50
SCNN1B P51168 1/20 0.50
SCNN1G P51170 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HSD17B10 Q99714 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
THPO P40225 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 4/20 0.30
GLA P06280 4/20 0.30
KDM4E B2RXH2 3/20 0.30
HPGD P15428 3/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
GMNN O75496 2/20 0.30

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
SCHEMBL12635766 0.99 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2017707 0.86 DRD5 (0.36) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634883 0.85 DRD5 (0.37) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020861 0.83 SCNN1A (0.33) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL16882076 0.83 SCNN1A (0.54) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL17937098 0.83 SCNN1A (0.60) SCNN1ADRD5SCNN1BSCNN1GHRH3
Bromide SCHEMBL20917667 0.82 SCNN1A (0.59) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636297 0.82 SCNN1A (0.33) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635942 0.82 SCNN1A (0.51) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL17937222 0.80 DRD5 (0.57) 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