Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL9307260

CCCCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2C)S(=O)(=O)c2ccc(C)cc2)c(C)c1.[I-]

nearest known ligand 0.49

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 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL9306710 0.90 CNR2 (0.41) CNR2
Iodide SCHEMBL9306218 0.90 CNR2 (0.41) CNR2
Iodide SCHEMBL9306886 0.87 CA12 (0.48) CNR2
Iodide SCHEMBL9308058 0.85 CNR2 (0.46) CNR2
Iodide SCHEMBL9305538 0.82 CNR2 (0.45) CNR2HTT
Iodide SCHEMBL9307636 0.82 CNR2 (0.46) CNR2HTT
Iodide SCHEMBL9307608 0.82 CNR2 (0.46) CNR2LMNAHTT
Iodide SCHEMBL9306285 0.79 ALDH1A1 (0.46) CNR2LMNAHTTSMN1; SMN2
Iodide SCHEMBL9306786 0.79 CNR2 (0.46) CNR2
Iodide SCHEMBL9307289 0.79 CNR2 (0.45) CNR2

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