Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL9307657

CCCCCCCCCCCCCCOc1c(CN(Cc2ccc[n+](CC)c2)S(C)(=O)=O)cccc1OC.[I-]

nearest known ligand 0.43

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 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.43
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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 SCHEMBL9307689 0.86 GGPS1 (0.34) —
Iodide SCHEMBL9305573 0.80 MAPT (0.40) MEN1ALDH1A1KMT2A
Iodide SCHEMBL9308601 0.79 BCHE (0.56) BCHE
Iodide SCHEMBL9306668 0.79 ALDH1A1 (0.42) MEN1ALDH1A1KMT2A
Iodide SCHEMBL9306047 0.78 HPGD (0.38) GAA
Iodide SCHEMBL9307341 0.78 BCHE (0.39) BCHE
Iodide SCHEMBL9306143 0.77 S1PR2 (0.41) MEN1ALDH1A1KMT2A
Iodide SCHEMBL9306276 0.77 BCHE (0.45) BCHEALDH1A1
Iodide SCHEMBL9306892 0.75 S1PR2 (0.42) ALDH1A1
Iodide SCHEMBL9306896 0.75 CNR2 (0.46) BCHEALDH1A1

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