Iodide

Iodide

SCHEMBL9308005

CCCCCCCCCCCCCCOc1ccc(CC(=O)NCc2cc[n+](CC)cc2)cc1OC.[I-]

nearest known ligand 0.59

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
HSD17B10 Q99714 1/20 0.58
EPHX2 P34913 2/20 0.56
NPSR1 Q6W5P4 1/20 0.53
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49

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 SCHEMBL9307350 1.00 HSD17B10 (0.58) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9307295 0.95 HSD17B10 (0.57) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9308081 0.95 HSD17B10 (0.57) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9307010 0.92 HSD17B10 (0.58) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9307860 0.92 HSD17B10 (0.58) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9308500 0.89 S1PR2 (0.48) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9308103 0.89 S1PR2 (0.48) HSD17B10EPHX2NPSR1S1PR2S1PR1
Iodide SCHEMBL9309538 0.88 HSD17B10 (0.57) HSD17B10EPHX2NPSR1
Iodide SCHEMBL9307156 0.88 HSD17B10 (0.57) HSD17B10EPHX2NPSR1
Iodide SCHEMBL9308855 0.87 HSD17B10 (0.44) HSD17B10NPSR1

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