Iodide

Iodide

SCHEMBL9307976

CCCCCCCCCCOc1ccc(C(=O)NCc2cc[n+](CC)cc2)c(OC)c1.[I-]

nearest known ligand 0.62

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 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CNR2 P34972 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
CNR1 P21554 1/20 0.43

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 SCHEMBL9309113 1.00 THRA (0.52) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9306649 0.94 THRA (0.52) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9307398 0.94 THRA (0.52) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9307180 0.92 THRA (0.52) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9306505 0.92 THRA (0.52) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9306657 0.88 THRA (0.48) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9307682 0.88 THRA (0.48) THRATHRBALDH1A1HPGDGAA
Iodide SCHEMBL9305547 0.87 THRB (0.51) THRATHRBALDH1A1LMNASMN1; SMN2
Iodide SCHEMBL9306867 0.87 THRB (0.51) THRATHRBALDH1A1LMNASMN1; SMN2
Iodide SCHEMBL9305722 0.86 CNR1 (0.50) THRATHRBCNR2CNR1

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