Iodide

Iodide

SCHEMBL9307816

CCCCCCCCCCCCCCOc1cccc(CN(Cc2ccc[n+](C)c2)S(=O)(=O)c2ccc(C)cc2)c1C.[I-]

nearest known ligand 0.46

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 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.46
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
TAS2R14 Q9NYV8 2/20 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 SCHEMBL9306187 0.86 CNR2 (0.45) CNR2TSHRHTTCNR1POLB
Iodide SCHEMBL9306262 0.83 TAS2R14 (0.48) CNR2TSHRHTTCNR1LMNA
Iodide SCHEMBL9305091 0.83 CNR2 (0.48) CNR2TSHRHTTCNR1POLB
Iodide SCHEMBL9307152 0.81 CNR2 (0.46) CNR2TSHRHTTCNR1POLB
Iodide SCHEMBL9305573 0.80 MAPT (0.40) HTTLMNAPOLB
Iodide SCHEMBL9306896 0.76 CNR2 (0.46) CNR2HTTCNR1LMNATAS2R14
Iodide SCHEMBL9307313 0.75 TAS2R14 (0.47) CNR2TSHRHTTCNR1LMNA
Iodide SCHEMBL9307636 0.74 CNR2 (0.46) CNR2TSHRHTTCNR1POLB
Iodide SCHEMBL9307893 0.74 CNR2 (0.46) CNR2TSHRHTTCNR1LMNA
Iodide SCHEMBL9307608 0.74 CNR2 (0.46) CNR2TSHRHTTCNR1LMNA

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