Iodide

Iodide

SCHEMBL9307397

CCCCCCCCCCOc1ccc(OCC(=O)NCCc2cccc[n+]2C)c(OC)c1.[I-]

nearest known ligand 0.67

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 6)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DHODH Q02127 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSD P07339 1/20 0.43

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 SCHEMBL9307473 1.00 PLA2G4B (0.46) PLA2G4BSMN1; SMN2DHODHPOLBHSD17B10
Iodide SCHEMBL9307244 0.96 SMN1; SMN2 (0.47) PLA2G4BSMN1; SMN2
Iodide SCHEMBL9309225 0.96 SMN1; SMN2 (0.47) PLA2G4BSMN1; SMN2
Iodide SCHEMBL9307320 0.90 PLA2G4B (0.46) PLA2G4BSMN1; SMN2DHODHHSD17B10CTSD
Iodide SCHEMBL9308445 0.90 PLA2G4B (0.46) PLA2G4BSMN1; SMN2DHODHHSD17B10CTSD
Iodide SCHEMBL9306859 0.90 PLA2G4B (0.45) PLA2G4BSMN1; SMN2DHODHHSD17B10CTSD
Iodide SCHEMBL9306780 0.90 PLA2G4B (0.45) PLA2G4BSMN1; SMN2DHODHHSD17B10CTSD
Iodide SCHEMBL9307178 0.89 LMNA (0.44) SMN1; SMN2
Iodide SCHEMBL9307144 0.89 LMNA (0.44) SMN1; SMN2
Iodide SCHEMBL9307722 0.87 SMN1; SMN2 (0.46) PLA2G4BSMN1; SMN2DHODHHSD17B10

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