Iodide

Iodide

SCHEMBL9307573

CCCCCCCCCCCCCCOc1cccc(CNC(=O)c2ccc[n+](CC)c2)c1C.[I-]

nearest known ligand 0.44

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
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
SMPD1 P17405 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GGPS1 O95749 1/20 0.39
PPARD Q03181 1/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 2/20 0.38
RAD52 P43351 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 SCHEMBL9307426 0.90 APOBEC3A (0.41) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9306740 0.89 HPGD (0.43) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9306472 0.85 HPGD (0.43) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9306343 0.81 USP2 (0.47) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9307193 0.81 USP2 (0.47) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9308938 0.81 USP2 (0.47) USP2MAPK1SMPD1SMN1; SMN2CYP1A2
Iodide SCHEMBL9307679 0.80 NPSR1 (0.40) MAPTLMNANPSR1
Iodide SCHEMBL9306451 0.79 S1PR2 (0.52) SMPD1SMN1; SMN2
Iodide SCHEMBL9308241 0.78 S1PR2 (0.52) LMNA
Iodide SCHEMBL9305242 0.78 S1PR2 (0.52) LMNA

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