Iodide

Iodide

SCHEMBL9306574

CCCCCCCCCCCCCCOc1c(CN(Cc2ccc[n+](C)c2)C(=O)c2ccccc2Cl)cccc1OC.[I-]

nearest known ligand 0.48

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 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.38
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 SCHEMBL9306925 0.93 BCHE (0.44) BCHEMAPT
Iodide SCHEMBL9307671 0.87 TP53 (0.42) BCHETP53MAPTRAF1MAP2K1
Iodide SCHEMBL9307341 0.87 BCHE (0.39) BCHEMAPT
Iodide SCHEMBL9304874 0.86 BCHE (0.39) BCHEMAPT
Iodide SCHEMBL9306256 0.84 TP53 (0.46) TP53MAPT
Iodide SCHEMBL9306993 0.83 TP53 (0.46) TP53MAPTRAF1MAP2K1NR1H4
Iodide SCHEMBL9308303 0.82 ATM (0.40) RAF1MAP2K1NR1H4
Iodide SCHEMBL9307106 0.82 MAPT (0.40) BCHETP53MAPT
Iodide SCHEMBL9306065 0.82 TP53 (0.40) TP53MAPT
Iodide SCHEMBL9307713 0.80 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