Iodide

Iodide

SCHEMBL9307642

CCCCCCCCCCCCCCOc1cccc(CC(=O)NCc2cccc[n+]2CC)c1OC.[I-]

nearest known ligand 0.50

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 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL9305151 0.83 HSD17B10 (0.56) NPSR1MEN1KMT2A
Iodide SCHEMBL9305579 0.83 HSD17B10 (0.56) NPSR1MEN1KMT2A
Iodide SCHEMBL9306589 0.83 CNR1 (0.48) NPSR1CNR1CNR2
Iodide SCHEMBL9307659 0.82 NPSR1 (0.39) NPSR1MEN1KMT2A
Iodide SCHEMBL9306732 0.81 CTSD (0.45) CNR1CNR2KMT2A
Iodide SCHEMBL9305590 0.80 CNR1 (0.43) NPSR1CNR1CNR2MEN1NPC1
Iodide SCHEMBL9307880 0.79 S1PR2 (0.46) NPSR1MEN1KMT2A
Iodide SCHEMBL9307055 0.79 S1PR2 (0.46) NPSR1MEN1KMT2A
Iodide SCHEMBL9307051 0.79 NPSR1 (0.42) NPSR1
Iodide SCHEMBL9307760 0.79 NPSR1 (0.42) NPSR1

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