Iodide

Iodide

SCHEMBL9305693

CCCCCCCCCCCCCCCCOc1ccc(CN(C(=O)c2ccc[n+](CCC)c2)c2ccccc2)cc1C(C)(C)C.[I-]

nearest known ligand 0.52

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 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
HSP90AA1 P07900 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAD52 P43351 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
XBP1 P17861 1/20 0.42
BLM P54132 1/20 0.42
STAT3 P40763 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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 SCHEMBL9305560 1.00 THRA (0.42) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9306170 1.00 THRA (0.42) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9307056 0.94 THRA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9305827 0.94 THRA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9309061 0.90 THRA (0.44) THRATHRBSTAT3
Iodide SCHEMBL9305571 0.88 LMNA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9308066 0.88 LMNA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9307977 0.88 LMNA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9308394 0.88 LMNA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2
Iodide SCHEMBL9306166 0.88 LMNA (0.43) THRATHRBLMNAHSP90AA1SMN1; SMN2

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