Iodide

Iodide

SCHEMBL6784136

Cc1cc2c(cn1)SC(C(=O)N1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)=[N+]2.[I-]

nearest known ligand 0.52

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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
F10 P00742 16/20 0.49
F2 P00734 3/20 0.49
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42

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 SCHEMBL6725746 0.85 F10 (0.52) F10
Iodide SCHEMBL6731640 0.84 F10 (0.43) ALDH1A1F10F2
Iodide SCHEMBL6735559 0.82 F10 (0.46) ALDH1A1F10F2
Iodide SCHEMBL6731308 0.81 F10 (0.41) ALDH1A1F10F2
Iodide SCHEMBL6731432 0.81 F10 (0.49) F10F2
Iodide SCHEMBL6731165 0.80 F10 (0.45) ALDH1A1F10F2
Iodide SCHEMBL6736671 0.80 F10 (0.40) ALDH1A1F10F2
Iodide SCHEMBL6728938 0.79 F10 (0.43) ALDH1A1F10F2
Iodide SCHEMBL6786318 0.78 F10 (0.43) F10F2
Iodide SCHEMBL6781771 0.78 F10 (0.49) F10F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed