Iodide

Iodide

SCHEMBL5087971

CCCCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]

nearest known ligand 0.52

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 0.46
CHRM3 known ✓ P20309 1/20 0.46
DNM1 Q05193 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 3/20 0.49
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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 SCHEMBL5084783 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5092174 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5085251 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5087588 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5088519 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5085089 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5084868 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL5092164 1.00 DNM1 (0.52) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5284781 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5304172 0.98 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1

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