Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL9306786

CCCCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl.[I-]

nearest known ligand 0.47

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 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.46
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 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 SCHEMBL9306770 0.91 CNR2 (0.45) CNR2MAPTTHRB
Iodide SCHEMBL9306285 0.90 ALDH1A1 (0.46) CNR2
Iodide SCHEMBL9307289 0.89 CNR2 (0.45) CNR2
Iodide SCHEMBL9305091 0.87 CNR2 (0.48) CNR2MAPTTHRB
Iodide SCHEMBL9305875 0.87 CNR2 (0.50) CNR2MAPTTHRB
Iodide SCHEMBL9306886 0.85 CA12 (0.48) CNR2
Iodide SCHEMBL9307365 0.84 CNR2 (0.49) CNR2MAPTTHRB
Iodide SCHEMBL9307537 0.84 CNR2 (0.49) CNR2MAPTTHRB
Iodide SCHEMBL9307893 0.84 CNR2 (0.46) CNR2MAPTTHRB
Iodide SCHEMBL9308634 0.81 ALDH1A1 (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