Iodide

Iodide

SCHEMBL9308013

CCCCCCCCCCCCCCOc1cccc(CN(Cc2cc[n+](CCC)cc2)C(C)=O)c1C.[I-]

nearest known ligand 0.56

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 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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 SCHEMBL9306999 0.89 POLB (0.39) MEN1KMT2AHTTMAPTNPC1
Iodide SCHEMBL9305550 0.87 BCHE (0.43)
Iodide SCHEMBL9308735 0.85 MAPT (0.45) MEN1KMT2AMAPTNR1I2LMNA
Iodide SCHEMBL9309183 0.83 TP53 (0.35) MAPT
Iodide SCHEMBL9308026 0.82
Iodide SCHEMBL9308401 0.81 LMNA (0.45) HTTMAPTSMN1; SMN2RAD52NPSR1
Iodide SCHEMBL9308335 0.81 MAPT (0.44) MEN1KMT2AHTTMAPTSMN1; SMN2
Iodide SCHEMBL9307955 0.80
Iodide SCHEMBL9305907 0.77 BCHE (0.46) MEN1KMT2ASMN1; SMN2
Iodide SCHEMBL9306472 0.76 HPGD (0.43) MAPTSMN1; SMN2MAPK1NPSR1

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