Iodide

Iodide

SCHEMBL9308265

CCCCCCCCCCCCCCCCOc1ccc(OCC(=O)NCCc2ccc[n+](C)c2)cc1OC.[I-]

nearest known ligand 0.49

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 0.49
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.44
PLA2G4B P0C869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
PTPN1 P18031 1/20 0.44
CNR2 P34972 1/20 0.44

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 SCHEMBL9306258 1.00 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9307735 0.96 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9307937 0.96 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9308554 0.92 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9307744 0.92 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9307316 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9306741 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9306592 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9307358 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPKMMAPTPLA2G4B
Iodide SCHEMBL9306466 0.89 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1TSHRRECQL

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