Iodide

Iodide

SCHEMBL9306914

CCCCCCCCCCCCCCOc1ccc(CC(=O)NCc2cccc[n+]2C)cc1.[I-]

nearest known ligand 0.81

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 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PDE4A P27815 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PLA2G4B P0C869 1/20 0.46

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 SCHEMBL9310792 1.00 LMNA (0.53) LMNAALDH1A1KDM4ECYP1A2CYP2D6
Iodide SCHEMBL9306211 0.90 ALDH1A1 (0.51) LMNAALDH1A1KDM4ECYP1A2CYP2D6
Iodide SCHEMBL9306773 0.85 HPGD (0.56) LMNACYP1A2SMN1; SMN2
SCHEMBL3836213 0.78 LMNA (0.71) LMNAALDH1A1KDM4ECYP1A2CYP2D6
Iodide SCHEMBL9306131 0.78 THRB (0.48) ALDH1A1
Iodide SCHEMBL9308048 0.78 THRB (0.48) ALDH1A1
Iodide SCHEMBL9306858 0.77 TSHR (0.49) LMNAKDM4EPLA2G4B
SCHEMBL9305442 0.77 HPGD (0.66) LMNAALDH1A1KDM4ECYP1A2CYP2D6
Iodide SCHEMBL9305291 0.77 THRA (0.49) ALDH1A1
Iodide SCHEMBL9307059 0.77 NPC1 (0.61) ALDH1A1CYP1A2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5279306-A None JP disclosed
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
JP-H05279306-A NEW AMINONAPHTHACENE DERIVATIVE SUMITOMO PHARMACEUT CO LTD 1993-10-26 JP disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed