Iodide

Iodide

SCHEMBL9307513

CCCCCCCCCCCCCCOc1cccc(C(C)NC(=O)c2cccc[n+]2CCC)c1C.[I-]

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
C5 P01031 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 SCHEMBL9309328 0.93 PPARG (0.41) PPARGCYSLTR2CYSLTR1MEN1NR1I2
Iodide SCHEMBL9306606 0.89 PPARG (0.41) PPARGCYSLTR2CYSLTR1MEN1NR1I2
Iodide SCHEMBL9307872 0.82 SMPD1 (0.39) PPARGPPARA
Iodide SCHEMBL9307165 0.82 SMPD1 (0.39) PPARGPPARA
Iodide SCHEMBL9307270 0.80 C5 (0.43) MEN1MAPTKMT2AC5PTPN1
Iodide SCHEMBL9307269 0.80 C5 (0.43) MEN1MAPTKMT2AC5PTPN1
Iodide SCHEMBL9305764 0.78 C5 (0.42) C5
Iodide SCHEMBL9305505 0.78 C5 (0.42) C5
Iodide SCHEMBL9308062 0.78 C5 (0.42) C5
Iodide SCHEMBL9307182 0.76 PPARG (0.41) PPARGPPARA

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