Iodide

Iodide

SCHEMBL7997291

[I-].c1ccc(-c2csc([S+](c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.38

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
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAOA P21397 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL755709 0.98 HDAC6 (0.39) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7612117 0.96 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL4678013 0.96 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
Fluoride SCHEMBL124319 0.94 HDAC6 (0.37) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1002067 0.93 HDAC6 (0.39) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31303612 0.91 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31314886 0.91 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31314895 0.91 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3500721 0.85 HDAC6 (0.38) HDAC6NPC1RAB9ASMN1; SMN2CNR1
SCHEMBL4379434 0.85 HDAC6 (0.38) HDAC6NPC1RAB9ASMN1; SMN2CNR1

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-6060213-A FOR USE IN THE PROCESS FOR THE PRODUCTION OF LITHOGRAPHIC PRINTING PLATES AND SEMICONDUCTORS SUCH AS INTEGRATED CIRCUITS OR CIRCUIT BOARDS FOR LIQUID CRYSTAL, THERMAL HEAD, ETC. OR OTHER PHOTOFABRICATION PROCESSES FUJI PHOTO FILM CO., LTD. (KR) 2000-05-09 US disclosed