Iodide

Iodide

SCHEMBL9307898

CCCCCCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](CCC)c2)C(=O)c2ccccc2OC)cc1C(C)(C)C.[I-]

nearest known ligand 0.53

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 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
RAD52 P43351 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RCE1 Q9Y256 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 SCHEMBL9308462 0.94 THRA (0.40) THRATHRB
Iodide SCHEMBL9308427 0.91 LMNA (0.42) MAPTRAD52KDM4EAPAF1ALDH1A1
Iodide SCHEMBL9308352 0.89 LMNA (0.40) THRATHRBMAPTRAD52KDM4E
Iodide SCHEMBL9306128 0.89 LMNA (0.40) THRATHRBMAPTRAD52KDM4E
Iodide SCHEMBL9305798 0.88 THRA (0.37) THRATHRBMAPTRAD52MEN1
Iodide SCHEMBL9307204 0.88 THRA (0.41) THRATHRB
Iodide SCHEMBL9307740 0.87
Iodide SCHEMBL9306025 0.87 THRA (0.42) THRATHRB
Iodide SCHEMBL9306943 0.86 LMNA (0.43) MAPTLMNAHTTSMN1; SMN2
Iodide SCHEMBL9306280 0.86 TP53 (0.42) THRATHRBMAPT

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