Iodide

Iodide

SCHEMBL9310401

CCCCCCCCCCCCCCCCOc1ccc(CN(CCCCCCCCCCCCCCCC)Cc2ccc[n+](C)c2)cc1C(C)(C)C.[I-]

nearest known ligand 0.66

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 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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 SCHEMBL9309129 0.90 THRA (0.44) THRATHRBMEN1MAPTMAPK1
Iodide SCHEMBL9307236 0.86 THRA (0.42) THRATHRB
Iodide SCHEMBL9307752 0.83 THRA (0.46) THRATHRB
Iodide SCHEMBL9307152 0.82 CNR2 (0.46) HTT
Iodide SCHEMBL9310103 0.81 BCHE (0.41)
Iodide SCHEMBL9307384 0.80 TP53 (0.43) THRATHRBMAPT
Iodide SCHEMBL9307942 0.79 THRA (0.50) THRATHRB
Iodide SCHEMBL9305832 0.79 THRA (0.42) THRATHRB
Iodide SCHEMBL9307363 0.79 THRA (0.45) THRATHRB
Iodide SCHEMBL9309061 0.77 THRA (0.44) THRATHRBSTAT3

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