Iodide

Iodide

SCHEMBL9308427

CCCCCCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](CCC)c2)C(=O)c2ccccc2OC)cc1OC.[I-]

nearest known ligand 0.46

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 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LPAR1 Q92633 1/20 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 SCHEMBL9306943 0.95 LMNA (0.43) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9307756 0.93 RAF1 (0.49) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9308352 0.93 LMNA (0.40) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9306128 0.93 LMNA (0.40) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9305821 0.92 MAPT (0.44) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9307898 0.91 THRA (0.40) LMNAMAPTHTTSMN1; SMN2KDM4E
Iodide SCHEMBL9306149 0.88 RAF1 (0.50) MAPTRAF1MAP2K1
Iodide SCHEMBL9307076 0.87 LMNA (0.38) LMNAMAPTHTTSMN1; SMN2L3MBTL1
Iodide SCHEMBL9307602 0.87 THRA (0.43)
Iodide SCHEMBL9308462 0.87 THRA (0.40)

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