Iodide

Iodide

SCHEMBL9305570

CCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2CC)c(Cl)c1.[I-]

nearest known ligand 0.54

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 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.48
THRA P10827 1/20 0.48
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 1/20 0.41

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 SCHEMBL9308269 1.00 THRB (0.48) THRBTHRAALDH1A1MEN1NPC1
Iodide SCHEMBL9307338 0.93 THRB (0.47) THRBTHRAALDH1A1MEN1NPC1
Iodide SCHEMBL9308082 0.93 THRB (0.47) THRBTHRAALDH1A1MEN1NPC1
Iodide SCHEMBL9308048 0.89 THRB (0.48) THRBTHRAALDH1A1
Iodide SCHEMBL9306131 0.89 THRB (0.48) THRBTHRAALDH1A1
Iodide SCHEMBL9306102 0.88 THRA (0.48) THRBTHRAALDH1A1
Iodide SCHEMBL9306253 0.88 THRA (0.48) THRBTHRAALDH1A1
Iodide SCHEMBL9307741 0.86 PTPN11 (0.41) THRBTHRAPTPN11
Iodide SCHEMBL9307202 0.86 PTPN11 (0.41) THRBTHRAPTPN11
Iodide SCHEMBL9306410 0.84 HPGD (0.55) MEN1NPC1RAB9AKMT2ASMN1; 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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed