Iodide

Iodide

SCHEMBL9308513

CCCCCCCCCCCCCCOc1cccc(C(=O)N(Cc2cccc[n+]2C)C(=O)c2ccccc2)c1C.[I-]

nearest known ligand 0.62

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 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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 SCHEMBL9307176 0.91 MEN1 (0.42) MEN1NR1I2LMNACHRM2CYP3A4
Iodide SCHEMBL9306364 0.91
Iodide SCHEMBL9306120 0.90
Iodide SCHEMBL9308296 0.89 MEN1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4
Iodide SCHEMBL9308113 0.89 MEN1 (0.40) MEN1NR1I2LMNACHRM2CYP3A4
Iodide SCHEMBL9307662 0.84
Iodide SCHEMBL9307192 0.84
Iodide SCHEMBL9305707 0.83 MEN1 (0.41) MEN1NR1I2LMNACHRM2CYP3A4
Iodide SCHEMBL9307075 0.83 THRA (0.46)
Iodide SCHEMBL9309335 0.83 THRA (0.46)

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