Iodide

Iodide

SCHEMBL9306732

CCCCCCCCCCCCCCOc1cccc(OCC(=O)NCCc2cccc[n+]2CC)c1OC.[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 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.45
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
HPGD P15428 1/20 0.39

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 SCHEMBL9308445 0.85 PLA2G4B (0.46) CTSDHSD17B10CNR1CNR2
Iodide SCHEMBL9307320 0.85 PLA2G4B (0.46) CTSDHSD17B10CNR1CNR2
Iodide SCHEMBL9307722 0.85 SMN1; SMN2 (0.46) HSD17B10
Iodide SCHEMBL9305539 0.84 TSHR (0.53) KMT2A
Iodide SCHEMBL9305577 0.83 TSHR (0.41) HSD17B10KMT2ACNR1CNR2HPGD
Iodide SCHEMBL9305846 0.82 CNR2 (0.45) CTSDHSD17B10CNR1CNR2
Iodide SCHEMBL9307642 0.81 NPSR1 (0.44) KMT2ACNR1CNR2
Iodide SCHEMBL9309294 0.81 CNR2 (0.44) CTSDHSD17B10CNR1CNR2
Iodide SCHEMBL9307113 0.81 TSHR (0.43) HPGD
Iodide SCHEMBL9307826 0.81 ALDH1A1 (0.43) HPGD

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