Iodide

Iodide

SCHEMBL9307746

CCCCCCCCCCCCCCOc1cccc(CN(Cc2ccc[n+](CC)c2)C(=O)c2ccccc2OC)c1C.[I-]

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 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
LPAR1 Q92633 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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 SCHEMBL9308335 0.91 MAPT (0.44) MAPTLMNAKDM4EMEN1NR1I2
Iodide SCHEMBL9307341 0.88 BCHE (0.39) MAPTLPAR1
Iodide SCHEMBL9306943 0.87 LMNA (0.43) MAPTLMNALPAR1SMN1; SMN2HTT
Iodide SCHEMBL9308401 0.84 LMNA (0.45) MAPTLMNAKDM4ESMN1; SMN2HTT
Iodide SCHEMBL9308077 0.84 MAPT (0.43) MAPT
Iodide SCHEMBL9306925 0.83 BCHE (0.44) MAPTLPAR1
Iodide SCHEMBL9308462 0.83 THRA (0.40)
Iodide SCHEMBL9308427 0.82 LMNA (0.42) MAPTLMNAKDM4ELPAR1SMN1; SMN2
Iodide SCHEMBL9306149 0.81 RAF1 (0.50) MAPT
Iodide SCHEMBL9305526 0.80 KDM4E (0.38) MAPTLMNAKDM4ELPAR1

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