Iodide

Iodide

SCHEMBL9306084

CCCCCCCCCCCCCCOc1ccc(COC(=O)N(Cc2cc[n+](CCC)cc2)C(=O)c2ccccc2OC)cc1OC.[I-]

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 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 SCHEMBL9308460 0.96 LMNA (0.41) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9308085 0.93 ATM (0.41) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9307076 0.93 LMNA (0.38) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9306525 0.93 LMNA (0.41) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9306372 0.91 THRA (0.38) LMNAMAPTMEN1NR1I2CHRM2
Iodide SCHEMBL9307957 0.91 MEN1 (0.38) LMNAMAPTMEN1NR1I2CHRM2
Iodide SCHEMBL9305841 0.91
Iodide SCHEMBL9307459 0.90 ATM (0.41) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9308001 0.89 LMNA (0.39) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9306810 0.88 THRA (0.38) LMNAMAPTMEN1NR1I2CHRM2

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