Iodide

Iodide

SCHEMBL9305907

CCCCCCCCCCCCCCOc1c(CN(Cc2cc[n+](CCC)cc2)C(=O)c2ccccc2)cccc1OC.[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 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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 SCHEMBL9306276 0.91 BCHE (0.45) BCHEALDH1A1SMN1; SMN2
Iodide SCHEMBL9305550 0.90 BCHE (0.43) BCHE
Iodide SCHEMBL9306999 0.88 POLB (0.39) MEN1KMT2ALPAR1LPAR5ALDH1A1
Iodide SCHEMBL9307210 0.87 LMNA (0.37) SMN1; SMN2
Iodide SCHEMBL9307106 0.86 MAPT (0.40) BCHEMEN1KMT2ALPAR1KDM4E
Iodide SCHEMBL9307671 0.83 TP53 (0.42) BCHEMEN1KMT2A
Iodide SCHEMBL9306567 0.80 LMNA (0.44) LPAR1LPAR5ALDH1A1SMN1; SMN2
Iodide SCHEMBL9307841 0.80 POLB (0.43) LPAR1LPAR5
Iodide SCHEMBL9308401 0.79 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2
Iodide SCHEMBL9305698 0.79 THRA (0.45)

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