Iodide

Iodide

SCHEMBL10890986

CC[n+]1c(C)sc2ccc(C)cc21.[I-]

nearest known ligand 0.75

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
MAPT P10636 14/20 0.75
KDM4E B2RXH2 7/20 0.75
LMNA P02545 2/20 0.75
PKM P14618 2/20 0.56
MPI P34949 1/20 0.56
THRB P10828 2/20 0.55
RECQL P46063 2/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL12364566 0.98 MAPT (0.72) MAPTKDM4ELMNAPKMMPI
SCHEMBL12201136 0.84 KDM4E (0.79) MAPTKDM4ELMNAPKMMPI
SCHEMBL8009677 0.84 MAPT (0.61) MAPTKDM4ELMNAPKMMPI
SCHEMBL8943203 0.84 MAPT (0.96) MAPTKDM4ELMNAPKMMPI
Iodide SCHEMBL10888241 0.83 KDM4E (0.94) MAPTKDM4ELMNAPKMMPI
Iodide SCHEMBL4012476 0.83 MAPT (0.57) MAPTKDM4ELMNAPKMMPI
Iodide SCHEMBL4013272 0.83 MAPT (0.57) MAPTKDM4ELMNAPKMMPI
Iodide SCHEMBL18166876 0.83 MAPT (0.57) MAPTKDM4ELMNAPKMMPI
SCHEMBL1048707 0.81 MAPT (0.54) MAPTKDM4ELMNAPKMMPI
SCHEMBL18416406 0.81 MAPT (0.54) MAPTKDM4ELMNAPKMMPI

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-0103294-B1 N-ALKYLINDOLYLIDENE AND N-ALKYLBENZOTHIAZOLYLIDENE ALKANONES AS SENSITIZERS FOR PHOTOPOLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-30 EP disclosed
US-4454218-A WITH UNSATURATED COMPOUND AND PHOTOINITIATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed
EP-0103294-A1 N-alkylindolylidene and N-alkylbenzothiazolylidene alkanones as sensitizers for photopolymer compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed