Iodide

Iodide

SCHEMBL9307421

CCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](CCC)c2)S(C)(=O)=O)c(C)c1.[I-]

nearest known ligand 0.42

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 15)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
FDPS P14324 1/20 0.36
PTPN1 P18031 1/20 0.36
MTNR1A P48039 1/20 0.36

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 SCHEMBL9307593 0.91 THRA (0.39) GGPS1THRATHRBPTPN1MTNR1A
Iodide SCHEMBL9308238 0.90 THRA (0.38) GGPS1THRATHRBPTPN1
Iodide SCHEMBL9307608 0.89 CNR2 (0.46) GGPS1KDM4EAPAF1ALDH1A1LMNA
Iodide SCHEMBL9307636 0.84 CNR2 (0.46) GGPS1POLB
Iodide SCHEMBL9307766 0.84 PDIA6 (0.39) THRATHRBPTPN1
Iodide SCHEMBL9305573 0.82 MAPT (0.40) GGPS1KDM4EAPAF1ALDH1A1LMNA
Iodide SCHEMBL9305538 0.81 CNR2 (0.45) POLBMAPT
Iodide SCHEMBL9305526 0.79 KDM4E (0.38) KDM4EAPAF1ALDH1A1LMNAPOLB
Iodide SCHEMBL9306528 0.79 TP53 (0.38) GGPS1APAF1ALDH1A1LMNAMAPT
Iodide SCHEMBL9307789 0.79 MAPT (0.42) KDM4EAPAF1ALDH1A1LMNAPOLB

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
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed