Iodide

Iodide

SCHEMBL9307988

CCCCCCCCCCCCCCCCOc1ccc(C(CC)NC(=O)c2cc[n+](CCC)cc2)c(C)c1.[I-]

nearest known ligand 0.48

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 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
PPARA Q07869 1/20 0.45
SMPD1 P17405 3/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLK1 P53350 3/20 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 SCHEMBL9308100 1.00 PPARG (0.45) PPARGPPARASMPD1ITGB1ITGA4
Iodide SCHEMBL9306406 0.95 PPARG (0.48) PPARGPPARASMPD1ITGB1ITGA4
Iodide SCHEMBL9305766 0.95 PPARG (0.48) PPARGPPARASMPD1ITGB1ITGA4
Iodide SCHEMBL9308630 0.91 PPARG (0.46) PPARGPPARASMPD1ITGB1ITGA4
Iodide SCHEMBL9306269 0.91 PPARG (0.46) PPARGPPARASMPD1ITGB1ITGA4
Iodide SCHEMBL9308210 0.80 PPARG (0.39) PPARGPPARASMPD1
Iodide SCHEMBL9307807 0.80 SMN1; SMN2 (0.46) SMPD1
Iodide SCHEMBL9306817 0.80 SMN1; SMN2 (0.46) SMPD1
Iodide SCHEMBL9307322 0.80 SMN1; SMN2 (0.46) SMPD1
Iodide SCHEMBL9307315 0.78 SMPD1 (0.47) SMPD1THRATHRB

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