Iodide

Iodide

SCHEMBL7697694

CCC(/C=C1\Sc2ccccc2N1CC)=C\c1sc2ccccc2[n+]1CC.[I-]

nearest known ligand 0.81

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
▸ MEN1 O00255 7/20 0.81
▸ KMT2A Q03164 7/20 0.81
▸ HTT P42858 6/20 0.81
▸ BLM P54132 6/20 0.81
▸ MAPT P10636 6/20 0.81
▸ ALDH1A1 P00352 5/20 0.81
▸ NPC1 O15118 4/20 0.81
▸ RAB9A P51151 4/20 0.81
▸ THRB P10828 4/20 0.81
▸ RECQL P46063 4/20 0.81
▸ POLB P06746 3/20 0.81
▸ PKM P14618 3/20 0.81
▸ SMN1; SMN2 Q16637 3/20 0.81
▸ NPSR1 Q6W5P4 3/20 0.81
▸ TDP1 Q9NUW8 3/20 0.81
▸ APAF1 O14727 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ PLA2G1B P04054 1/20 0.81
▸ CDK5 Q00535 1/20 0.81
▸ CDK5R1 Q15078 1/20 0.81

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 SCHEMBL7697697 1.00 MEN1 (0.81) MEN1KMT2AHTTBLMMAPT
SCHEMBL10036001 0.99 NSD2 (0.81) MEN1KMT2AHTTBLMMAPT
SCHEMBL12311450 0.99 NSD2 (0.81) MEN1KMT2AHTTBLMMAPT
SCHEMBL11670916 0.99 NSD2 (0.81) MEN1KMT2AHTTBLMMAPT
Bromide SCHEMBL10431222 0.98 NSD2 (0.80) MEN1KMT2AHTTBLMMAPT
Iodide SCHEMBL145357 0.90 MEN1 (1.00) MEN1KMT2AHTTBLMMAPT
Iodide SCHEMBL5500973 0.90 MEN1 (1.00) MEN1KMT2AHTTBLMMAPT
Iodide SCHEMBL145356 0.90 MEN1 (1.00) MEN1KMT2AHTTBLMMAPT
SCHEMBL12611407 0.90 NSD2 (0.83) MEN1KMT2AHTTBLMMAPT
SCHEMBL2409472 0.89 NSD2 (1.00) MEN1KMT2AHTTBLMMAPT

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-6342329-B1 Image-forming medium BROTHER KOGYO KABUSHIKI KAISHA (JP) 2002-01-29 — — US disclosed
EP-0930539-A1 Image-forming medium BROTHER KOGYO KABUSHIKI KAISHA (JP) 1999-07-21 — — EP disclosed
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