Iodide

Iodide

SCHEMBL9307253

CCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](CC)cc2)C(=O)c2ccccc2Cl)cc1OC.[I-]

nearest known ligand 0.50

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 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.50
MAP2K1 Q02750 1/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
NR1H4 Q96RI1 2/20 0.46
ALDH1A1 P00352 1/20 0.41

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 SCHEMBL9307453 0.93 RAF1 (0.50) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9308232 0.93 TP53 (0.49) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9306149 0.91 RAF1 (0.50) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9306538 0.89 TP53 (0.46) RAF1MAP2K1TP53MAPT
Iodide SCHEMBL9305698 0.88 THRA (0.45)
Iodide SCHEMBL9305821 0.88 MAPT (0.44) MAPT
Iodide SCHEMBL9306921 0.88 TP53 (0.49) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9307756 0.88 RAF1 (0.49) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9307671 0.86 TP53 (0.42) RAF1MAP2K1TP53MAPTNR1H4
Iodide SCHEMBL9306347 0.85 LMNA (0.44) MAPT

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