Iodide

Iodide

SCHEMBL6230746

C[N+](C)(C)CCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCC[N+](C)(C)C)C5=O.[I-].[I-]

nearest known ligand 0.84

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 7/20 0.84
▸ STAT3 P40763 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RGS12 O14924 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49

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 SCHEMBL6232922 0.98 TERT (0.82) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL34460906 0.98 TERT (0.87) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL6234260 0.98 TERT (0.87) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL26378291 0.92 TERT (1.00) TERTKDM4EALDH1A1RECQLKMT2A
Iodide SCHEMBL6233141 0.90 TERT (0.97) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL34460911 0.90 TERT (0.73) TERTSTAT3HIF1AKDM4EALDH1A1
Iodide SCHEMBL6234517 0.89 TERT (0.94) TERTSTAT3HIF1AKDM4EALDH1A1
SCHEMBL21367403 0.89 TERT (1.00) TERTSTAT3HIF1AKDM4EALDH1A1
Iodide SCHEMBL6231774 0.87 TERT (0.64) TERTSTAT3HIF1AKDM4EALDH1A1
Iodide SCHEMBL6234377 0.87 TERT (0.64) TERTSTAT3HIF1AKDM4EALDH1A1

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 3 patents. 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
US-6391062-B1 APPLYING A DIRECT DYE TO HAIR WITH BENZ(DE)ISOQUINOLINE ACID SALT COMPOUND L'OREAL S.A. (FR) 2002-05-21 — — US claimed
US-6391062-B1 APPLYING A DIRECT DYE TO HAIR WITH BENZ(DE)ISOQUINOLINE ACID SALT COMPOUND L'OREAL S.A. (FR) 2002-05-21 — — US disclosed
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