Iodide

Iodide

SCHEMBL8955180

I.N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc3cccnc23)C(=O)C2CCCCN2C(=O)O)c1

nearest known ligand 0.53

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 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.53
▸ PLAU P00749 6/20 0.51
▸ PLG P00747 9/20 0.50
▸ ST14 Q9Y5Y6 7/20 0.50
▸ F2 P00734 5/20 0.50
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPN P05981 1/20 0.46
▸ HGFAC Q04756 1/20 0.46

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
SCHEMBL8956082 0.99 F10 (0.54) F10PLAUPLGST14F2
SCHEMBL8956272 0.85 GAA (0.48) GAAMAPTNPSR1
Iodide SCHEMBL8955189 0.77 F10 (0.43) F10PLAUPLGST14F2
SCHEMBL8956093 0.76 F10 (0.44) F10PLAUPLGST14F2
SCHEMBL8954659 0.73 MAPT (0.46) GAAMAPTNPSR1
SCHEMBL30583119 0.72 F10 (0.76) F10PLAUPLGST14F2
SCHEMBL8955017 0.71 F10 (0.69) F10PLAUPLGST14F2
SCHEMBL8954726 0.70 F10 (0.75) F10PLAUPLGST14F2
SCHEMBL8954681 0.70 F10 (0.75) F10PLAUPLGST14F2
SCHEMBL8954768 0.70 F10 (0.75) F10PLAUPLGST14F2

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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