Iodide

Iodide

SCHEMBL5091509

CCC[N+](C)(C)Cc1ccccc1.[I-]

nearest known ligand 0.69

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
CHRM3 known ✓ P20309 4/20 0.41
CHRM1 known ✓ P11229 3/20 0.38
ACHE known ✓ P22303 2/20 0.38
DNM1 Q05193 2/20 0.69
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TP53 P04637 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 4/20 0.65
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 1/20 0.52
RAD52 P43351 3/20 0.44
PSMD14 O00487 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
MC4R P32245 1/20 0.44
CXCR3 P49682 1/20 0.40
CHRM2 P08172 3/20 0.38

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
SCHEMBL1684242 0.98 DNM1 (0.71) DNM1MEN1KMT2ATP53SMN1; SMN2
Water SCHEMBL7548920 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2389386 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL7546007 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL5088604 0.96 DNM1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL5084982 0.96 MEN1 (0.72) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL7546004 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL2389391 0.96 DNM1 (0.69) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL1822009 0.94 MEN1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL29703384 0.88 DNM1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2

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
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed