Iodide

Iodide

SCHEMBL9308735

CCCCCCCCCCCCCCOc1cccc(CN(Cc2cc[n+](CCC)cc2)C(=O)c2ccccc2Cl)c1C.[I-]

nearest known ligand 0.45

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 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
THRB P10828 2/20 0.36
THRA P10827 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 SCHEMBL9306999 0.88 POLB (0.39) MAPTTP53MEN1LMNAKMT2A
Iodide SCHEMBL9308013 0.85 MEN1 (0.38) MAPTMEN1NR1I2LMNACHRM2
Iodide SCHEMBL9308335 0.85 MAPT (0.44) MAPTMEN1NR1I2LMNACHRM2
Iodide SCHEMBL9306921 0.85 TP53 (0.49) MAPTTP53MEN1KMT2ATHRB
Iodide SCHEMBL9307106 0.85 MAPT (0.40) MAPTTP53MEN1NR1I2LMNA
Iodide SCHEMBL9307671 0.84 TP53 (0.42) MAPTTP53MEN1KMT2A
Iodide SCHEMBL9306256 0.80 TP53 (0.46) MAPTTP53LMNA
Iodide SCHEMBL9308401 0.80 LMNA (0.45) MAPTLMNATHRA
Iodide SCHEMBL9308232 0.80 TP53 (0.49) MAPTTP53THRBTHRA
Iodide SCHEMBL9307746 0.79 MAPT (0.42) MAPTMEN1NR1I2LMNACHRM2

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