Iodide

Iodide

SCHEMBL9307593

CCCCCCCCCCCCCCOc1ccc(CN(Cc2cc[n+](CCC)cc2)S(C)(=O)=O)c(C)c1.[I-]

nearest known ligand 0.42

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 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
APLNR P35414 1/20 0.38
PDIA6 Q15084 1/20 0.36
PTPN1 P18031 1/20 0.36
MTNR1A P48039 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GGPS1 O95749 1/20 0.34

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 SCHEMBL9307766 0.91 PDIA6 (0.39) THRATHRBAPLNRPDIA6PTPN1
Iodide SCHEMBL9307421 0.91 GGPS1 (0.38) THRATHRBPTPN1MTNR1AGGPS1
Iodide SCHEMBL9305538 0.88 CNR2 (0.45)
Iodide SCHEMBL9308238 0.85 THRA (0.38) THRATHRBPDIA6PTPN1GGPS1
Iodide SCHEMBL9307608 0.80 CNR2 (0.46) GGPS1
Iodide SCHEMBL9308058 0.79 CNR2 (0.46)
Iodide SCHEMBL9307841 0.79 POLB (0.43) THRATHRB
Iodide SCHEMBL9306247 0.77 S1PR2 (0.42) THRATHRBNPC1RAB9A
Iodide SCHEMBL9306470 0.77 S1PR2 (0.42) THRATHRBNPC1RAB9A
Iodide SCHEMBL9305668 0.77 S1PR2 (0.42) THRATHRBAPLNRNPC1

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