Iodide

Iodide

SCHEMBL9306741

CCCCCCCCCCCCOc1ccc(OCC(=O)NCCc2ccc[n+](CCC)c2)cc1OC.[I-]

nearest known ligand 0.47

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 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MTNR1A P48039 2/20 0.42
MTNR1B P49286 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PLA2G4B P0C869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.42
PTPN1 P18031 1/20 0.42

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 SCHEMBL9307316 1.00 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMMTNR1AMTNR1B
Iodide SCHEMBL9308674 0.97 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPKMMTNR1APLA2G4B
Iodide SCHEMBL9307019 0.97 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPKMMTNR1APLA2G4B
Iodide SCHEMBL9307744 0.95 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPKMKMT2ARXFP1
Iodide SCHEMBL9308554 0.95 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPKMKMT2ARXFP1
Iodide SCHEMBL9306469 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPKMMTNR1AKMT2A
Iodide SCHEMBL9306540 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPKMMTNR1AKMT2A
Iodide SCHEMBL9306258 0.91 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPKMKMT2ARXFP1
Iodide SCHEMBL9308265 0.91 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPKMKMT2ARXFP1
Iodide SCHEMBL9307497 0.90 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPKMMTNR1AMTNR1B

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