Iodide

Iodide

SCHEMBL5087649

CCCCCCC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[I-]

nearest known ligand 0.68

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
CHRM1 known ✓ P11229 1/20 0.47
CHRM3 known ✓ P20309 1/20 0.47
DNM1 Q05193 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
TP53 P04637 2/20 0.66
MAPK1 P28482 2/20 0.66
HTT P42858 3/20 0.64
SLC22A1 O15245 2/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47

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 SCHEMBL5092107 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5091236 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5085277 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5091356 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5091430 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5086633 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
Iodide SCHEMBL5092396 1.00 DNM1 (0.68) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5297131 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5301522 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL5308205 0.98 DNM1 (0.70) DNM1SMN1; SMN2MEN1KMT2ATP53

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