Iodide

Iodide

SCHEMBL9306567

CCCCCCCCCCCCCCOc1c(Cl)cccc1CN(Cc1ccc[n+](CCC)c1)C(=O)c1ccccc1.[I-]

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAD52 P43351 1/20 0.44
APAF1 O14727 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL9306276 0.90 BCHE (0.45) LMNAHSP90AA1SMN1; SMN2RAD52APAF1
Iodide SCHEMBL9308401 0.85 LMNA (0.45) LMNAHSP90AA1SMN1; SMN2RAD52APAF1
Iodide SCHEMBL9307091 0.83 LMNA (0.45) LMNAHSP90AA1SMN1; SMN2RAD52APAF1
Iodide SCHEMBL9307341 0.83 BCHE (0.39) LPAR1
Iodide SCHEMBL9311689 0.82 BCHE (0.41) LMNARAD52APAF1ALDH1A1BLM
Iodide SCHEMBL9307106 0.81 MAPT (0.40) LMNALPAR1
Iodide SCHEMBL9309183 0.81 TP53 (0.35)
Iodide SCHEMBL9305907 0.80 BCHE (0.46) SMN1; SMN2ALDH1A1LPAR1LPAR5
Iodide SCHEMBL9307965 0.79 GGPS1 (0.37) LMNAHSP90AA1SMN1; SMN2RAD52APAF1
Iodide SCHEMBL9307210 0.79 LMNA (0.37) LMNASMN1; SMN2

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