Iodide

Iodide

SCHEMBL9308085

CCCCCCCCCCCCCCOc1ccc(COC(=O)N(Cc2cc[n+](CCC)cc2)C(=O)c2ccccc2OC)cc1Cl.[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 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 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
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 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 SCHEMBL9307459 0.95 ATM (0.41) ATMLMNAMAPTMEN1NR1I2
Iodide SCHEMBL9305446 0.93 ATM (0.40) ATMLMNAMAPTMEN1NR1I2
Iodide SCHEMBL9308385 0.93 ATM (0.42) ATMLMNAMAPTMEN1NR1I2
Iodide SCHEMBL9306084 0.93 LMNA (0.40) LMNAMAPTMEN1NR1I2CHRM2
Iodide SCHEMBL9306372 0.89 THRA (0.38) LMNAMAPTMEN1NR1I2CHRM2
Iodide SCHEMBL9306628 0.89 ATM (0.40) ATMLMNAMAPTMEN1NR1I2
Iodide SCHEMBL9307548 0.89 ATM (0.43) ATMTHRATHRB
Iodide SCHEMBL9308460 0.89 LMNA (0.41) LMNAMAPTMEN1NR1I2CHRM2
Iodide SCHEMBL9305920 0.89 ATM (0.40) ATM
Iodide SCHEMBL9307351 0.88 ATM (0.41) ATMLMNAMAPTMEN1NR1I2

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