Iodide

Iodide

SCHEMBL7757651

C[n+]1c(C=C2C=CN(CCI)c3ccccc32)oc2ccccc21.[I-]

nearest known ligand 0.43

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 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPK1 P28482 3/20 0.34
THRB P10828 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.30

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 SCHEMBL5918845 0.85 MEN1 (0.40) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3931412 0.84 MEN1 (0.39) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3931417 0.84 MEN1 (0.39) MEN1MAPTKMT2AALDH1A1NPSR1
Iodide SCHEMBL1806983 0.84 KDM4E (0.59) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL278447 0.83 KDM4E (0.57) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL13098676 0.77 MEN1 (0.38) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3934283 0.73 MEN1 (0.37) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3934279 0.73 MEN1 (0.37) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL10023161 0.72 MAPT (0.41) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL12302044 0.72 MEN1 (0.33) MEN1MAPTKMT2AALDH1A1NPSR1

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
EP-0714986-B1 Method of detecting specific nucleic acid sequences TOSOH CORP (JP) 2001-03-14 EP disclosed
EP-0714986-A1 Method of detecting specific nucleic acid sequences Tosoh Corporation (JP) 1996-06-05 EP disclosed