Iodide

Iodide

SCHEMBL6930685

I.Sc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
IDO1 P14902 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
AHR P35869 1/20 0.35
TP53 P04637 2/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOB P27338 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL6930595 0.98 CYP1A2 (0.39) ADORA2AADORA1CYP1A2PTGS2PTGS1
Bromide SCHEMBL3129129 0.96 ADORA2A (0.38) ADORA2AADORA1CYP1A2PTGS2PTGS1
Perchlorate SCHEMBL3132388 0.89 PTGS2 (0.38) ADORA2AADORA1CYP1A2PTGS2PTGS1
SCHEMBL9239435 0.83 CYP1A2 (0.48) ADORA2AADORA1CYP1A2PTGS2PTGS1
Trifluoromethanesulfonic Acid SCHEMBL1089067 0.81 PTGS2 (0.39) ADORA2AADORA1PTGS2PTGS1TP53
SCHEMBL28926991 0.80 SLC6A4 (0.39) CYP1A2PTGS2PTGS1IDO1HTR1A
Benzoyl Formic Acid SCHEMBL699656 0.80 CES2 (0.51) TP53MDM4MDM2SLC6A4SLC6A3
Iodide SCHEMBL7090862 0.80 ENPP1 (0.43) PTGS2PTGS1TP53GPR84NPC1
SCHEMBL3282910 0.79 CYP1A2 (0.50) ADORA2AADORA1CYP1A2PTGS2PTGS1
SCHEMBL4669356 0.79 ALDH1A1 (0.41) ADORA2AADORA1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158363-B1 Positive resist composition and onium salts of saccharin derivatives FUJIFILM CORP (JP) 2014-01-22 EP disclosed
EP-1160095-B1 Heat-sensitive composition and planographic printing plate precursor FUJIFILM CORP (JP) 2013-12-25 EP disclosed
US-6660446-B2 Generating acid upon heating FUJI PHOTO FILM CO., LTD. (JP) 2003-12-09 US disclosed
US-6605409-B2 Includes a compound that generates a specific sulfonimide compound by irradiation with an actinic ray or a radiation and (B) a resin having an acid decomposable group which increases solubility in an alkali developer; improved resolving power FUJI PHOTO FILM CO., LTD. (JP) 2003-08-12 US disclosed
US-20020025489-A1 Generating acid upon heating FUJIFILM CORPORATION (JP) 2002-02-28 US disclosed
US-20020006578-A1 Positive resist composition FUJI PHOTO FILM CO., LTD. 2002-01-17 US disclosed
EP-1160095-A2 Heat-sensitive composition and planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-12-05 EP disclosed
EP-1158363-A1 Positive resist composition and onium salts of saccharin derivatives FUJI PHOTO FILM CO., LTD. (JP) 2001-11-28 EP disclosed