Iodide

Iodide

SCHEMBL6231025

CC[N+](CC)(CC)CCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC[N+](CC)(CC)CC)C5=O.I.I.[I-].[I-]

nearest known ligand 0.68

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
▸ TERT O14746 8/20 0.68
▸ STAT3 P40763 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RGS12 O14924 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39

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 SCHEMBL6233553 0.98 TERT (0.69) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6234517 0.84 TERT (0.94) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6233141 0.83 TERT (0.97) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL6231223 0.82 TERT (0.56) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6233154 0.81 TERT (0.62) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6230807 0.81 TERT (0.62) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL21367403 0.81 TERT (1.00) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6234377 0.79 TERT (0.64) TERTSTAT3HIF1AMEN1KMT2A
Iodide SCHEMBL6231774 0.79 TERT (0.64) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL10023986 0.79 TERT (0.88) TERTSTAT3HIF1AMEN1KMT2A

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
EP-1027879-B1 Use of cationic condensed polycyclic compounds for dyeing of keratinic substances, dyeing compositions and process OREAL (FR) 2005-04-20 — — EP claimed
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