Iodide

Iodide

SCHEMBL9307671

CCCCCCCCCCCCCCOc1c(CN(Cc2cc[n+](CC)cc2)C(=O)c2ccccc2Cl)cccc1OC.[I-]

nearest known ligand 0.42

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 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
BCHE P06276 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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 SCHEMBL9307106 0.89 MAPT (0.40) TP53MAPTBCHEMEN1KMT2A
Iodide SCHEMBL9306574 0.87 BCHE (0.42) TP53MAPTBCHERAF1MAP2K1
Iodide SCHEMBL9307253 0.86 RAF1 (0.50) TP53MAPTRAF1MAP2K1NR1H4
Iodide SCHEMBL9307341 0.86 BCHE (0.39) MAPTBCHE
Iodide SCHEMBL9306256 0.85 TP53 (0.46) TP53MAPT
Iodide SCHEMBL9308335 0.84 MAPT (0.44) MAPTMEN1KMT2A
Iodide SCHEMBL9308735 0.84 MAPT (0.45) TP53MAPTMEN1KMT2A
Iodide SCHEMBL9305907 0.83 BCHE (0.46) BCHEMEN1KMT2A
Iodide SCHEMBL9308232 0.82 TP53 (0.49) TP53MAPTRAF1MAP2K1NR1H4
Iodide SCHEMBL9307713 0.81 TP53 (0.42) TP53MAPT

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