Iodide

Iodide

SCHEMBL9307244

CCCCCCCCCCCCOc1ccc(OCC(=O)NCCc2cccc[n+]2C)cc1OC.[I-]

nearest known ligand 0.64

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
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PLA2G4B P0C869 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 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 SCHEMBL9309225 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MTNR1AMTNR1BPLA2G4BTSHR
Iodide SCHEMBL9307473 0.96 PLA2G4B (0.46) SMN1; SMN2PLA2G4B
Iodide SCHEMBL9307397 0.96 PLA2G4B (0.46) SMN1; SMN2PLA2G4B
Iodide SCHEMBL9307722 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MTNR1AMTNR1BPLA2G4BTSHR
Iodide SCHEMBL9305409 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MTNR1AMTNR1BPLA2G4BTSHR
Iodide SCHEMBL9307082 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MTNR1AMTNR1BPLA2G4BTSHR
Iodide SCHEMBL9306785 0.89 TSHR (0.44) SMN1; SMN2TSHRRECQL
Iodide SCHEMBL9307225 0.89 TSHR (0.44) SMN1; SMN2TSHRRECQL
Iodide SCHEMBL9308322 0.89 TSHR (0.43) TSHRRECQL
Iodide SCHEMBL9305585 0.89 TSHR (0.43) TSHRRECQL

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