Iodide

Iodide

SCHEMBL9305764

CCCCCCCCCCCCCCOc1ccc(C(C)NC(=O)c2cccc[n+]2CCC)cc1C(C)(C)C.[I-]

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
C5 P01031 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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 SCHEMBL9305505 1.00 C5 (0.42) C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9308062 1.00 C5 (0.42) C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9307009 0.94 C5 (0.42) C5THRATHRBKDM4EALDH1A1
Iodide SCHEMBL9308343 0.89 C5 (0.43) C5THRATHRB
Iodide SCHEMBL9306940 0.88 C5 (0.49) C5
Iodide SCHEMBL9306385 0.88 C5 (0.43) C5THRATHRB
Iodide SCHEMBL9307269 0.88 C5 (0.43) C5THRATHRB
Iodide SCHEMBL9307270 0.88 C5 (0.43) C5THRATHRB
Iodide SCHEMBL9306355 0.81 C5 (0.50) C5
Iodide SCHEMBL9304970 0.81 C5 (0.44) C5THRATHRB

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