Iodide

Iodide

SCHEMBL9307141

CCCCCCCCCCCCOc1ccc(CNC(=O)c2ccc[n+](CC)c2)cc1C(C)(C)C.[I-]

nearest known ligand 0.51

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
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CNR2 P34972 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC3 O15379 1/20 0.41

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 SCHEMBL9306452 1.00 THRA (0.45) THRATHRBCNR2PPARGPPARD
Iodide SCHEMBL9309501 0.89 THRA (0.48) THRATHRBCNR2PPARGPPARD
Iodide SCHEMBL9306451 0.88 S1PR2 (0.52) CNR2
Iodide SCHEMBL9305242 0.87 S1PR2 (0.52) THRATHRBCNR2HDAC3
Iodide SCHEMBL9307331 0.87 S1PR2 (0.52) THRATHRBCNR2HDAC3
Iodide SCHEMBL9308241 0.87 S1PR2 (0.52) THRATHRBCNR2HDAC3
Iodide SCHEMBL9305218 0.85 HSD17B10 (0.44) THRATHRB
Iodide SCHEMBL9307150 0.85 HSD17B10 (0.44) THRATHRB
Iodide SCHEMBL9306202 0.85 THRA (0.48) THRATHRBPPARGPPARDPPARA
Iodide SCHEMBL9305358 0.85 THRA (0.48) THRATHRBCNR2PPARGPPARD

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