Iodide

Iodide

SCHEMBL9307719

CCCCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cc[n+](C)cc2)c(Cl)c1.[I-]

nearest known ligand 0.67

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 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
THRA P10827 1/20 0.51
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FAAH O00519 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 SCHEMBL9307652 1.00 THRB (0.51) THRBTHRAHTTRECQLLMNA
Iodide SCHEMBL9307224 0.92 THRB (0.51) THRBTHRALMNASMN1; SMN2ALDH1A1
Iodide SCHEMBL9305547 0.92 THRB (0.51) THRBTHRALMNASMN1; SMN2ALDH1A1
Iodide SCHEMBL9306867 0.92 THRB (0.51) THRBTHRALMNASMN1; SMN2ALDH1A1
Iodide SCHEMBL9307767 0.89 THRB (0.48) THRBTHRASMN1; SMN2ALDH1A1
Iodide SCHEMBL9307213 0.89 THRB (0.48) THRBTHRASMN1; SMN2ALDH1A1
Iodide SCHEMBL9307180 0.87 THRA (0.52) THRBTHRAHTTLMNASMN1; SMN2
Iodide SCHEMBL9306505 0.87 THRA (0.52) THRBTHRAHTTLMNASMN1; SMN2
Iodide SCHEMBL9307810 0.84 THRB (0.43) THRBTHRAHTTLMNAALDH1A1
Iodide SCHEMBL9307388 0.84 THRB (0.43) THRBTHRAHTTLMNAALDH1A1

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