Iodide

Iodide

SCHEMBL9306285

CCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2C)S(=O)(=O)c2ccc(C)cc2)cc1OC.[I-]

nearest known ligand 0.55

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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
CNR2 P34972 2/20 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 SCHEMBL9308634 0.91 ALDH1A1 (0.45) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9306086 0.90 ALDH1A1 (0.45) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9306786 0.90 CNR2 (0.46) CNR2
Iodide SCHEMBL9307289 0.89 CNR2 (0.45) CNR2
Iodide SCHEMBL9306262 0.87 TAS2R14 (0.48) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9306534 0.87 ALDH1A1 (0.47) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9306886 0.85 CA12 (0.48) TAS2R14CNR2
Iodide SCHEMBL9307171 0.85 ALDH1A1 (0.47) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9307313 0.84 TAS2R14 (0.47) ALDH1A1LMNATSHRHTTSMN1; SMN2
Iodide SCHEMBL9306770 0.81 CNR2 (0.45) TSHRHTTTAS2R14CNR2

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