Iodide

Iodide

SCHEMBL9308352

CCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](CCC)c2)C(=O)c2ccccc2OC)cc1Cl.[I-]

nearest known ligand 0.41

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 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
LPAR1 Q92633 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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 SCHEMBL9306128 1.00 LMNA (0.40) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9308427 0.93 LMNA (0.42) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9308303 0.92 ATM (0.40) ATMRAF1MAP2K1NR1H4LPAR1
Iodide SCHEMBL9307756 0.91 RAF1 (0.49) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9307091 0.90 LMNA (0.45) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9307898 0.89 THRA (0.40) LMNAMAPTKDM4EAPAF1ALDH1A1
Iodide SCHEMBL9305446 0.88 ATM (0.40) LMNAMAPTATMHTTSMN1; SMN2
Iodide SCHEMBL9307400 0.87 MAPT (0.45) LMNAMAPTATMRAF1MAP2K1
Iodide SCHEMBL9306943 0.87 LMNA (0.43) LMNAMAPTRAF1MAP2K1LPAR1
Iodide SCHEMBL9307428 0.86 MAPT (0.41) LMNAMAPTATMNR1H4LPAR1

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