Iodide

Iodide

SCHEMBL2016067

Cn1c(COC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccc(C#N)cc21.[I-]

nearest known ligand 0.34

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
TDP1 Q9NUW8 2/20 0.34
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TDP2 O95551 2/20 0.31
CXCR3 P49682 1/20 0.31
RORC P51449 1/20 0.31
SCNN1A P37088 2/20 0.30
ELANE P08246 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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 SCHEMBL2021198 0.88 MAPT (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
Iodide SCHEMBL2017463 0.87 KDM4E (0.33) TDP1GABRA2LMNAMAPTSCNN1A
SCHEMBL12635733 0.87 MAPT (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
Iodide SCHEMBL2016304 0.86 GABRA2 (0.32) GABRA2LMNASCNN1AELANE
Iodide SCHEMBL2016658 0.85 SCNN1A (0.38) GABRA2LMNAMAPTSCNN1AKDM4E
SCHEMBL12635720 0.85 GABRA2 (0.32) GABRA2LMNASCNN1AELANEKDM4E
Iodide SCHEMBL2016509 0.83 SCNN1A (0.39) GABRA2LMNAMAPTSCNN1AKDM4E
SCHEMBL12635715 0.83 LMNA (0.44) TDP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL12635937 0.80 DRD5 (0.38) TDP1LMNAMAPTCXCR3SCNN1A
Iodide SCHEMBL2021861 0.76 KDM4E (0.35) TDP1GABRA2LMNAMAPTSCNN1A

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed