Iodide

Iodide

SCHEMBL9306628

CCCCCCCCCCCCCCOc1ccc(COC(=O)N(Cc2ccc[n+](CC)c2)C(=O)c2ccccc2OC)cc1Cl.[I-]

nearest known ligand 0.43

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
ATM Q13315 1/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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 SCHEMBL9305446 0.95 ATM (0.40) ATMMAPTLMNASMN1; SMN2L3MBTL1
Iodide SCHEMBL9308001 0.94 LMNA (0.39) MAPTLMNASMN1; SMN2L3MBTL1HTT
Iodide SCHEMBL9307351 0.93 ATM (0.41) ATMMAPTLMNAMEN1KMT2A
Iodide SCHEMBL9307459 0.92 ATM (0.41) ATMMAPTLMNASMN1; SMN2L3MBTL1
Iodide SCHEMBL9308411 0.90 ATM (0.42) ATM
Iodide SCHEMBL9305576 0.90 THRA (0.37) MAPTLMNAMEN1KMT2ACYP3A4
Iodide SCHEMBL9307076 0.89 LMNA (0.38) MAPTLMNASMN1; SMN2L3MBTL1HTT
Iodide SCHEMBL9308085 0.89 ATM (0.41) ATMMAPTLMNASMN1; SMN2L3MBTL1
Iodide SCHEMBL9308385 0.88 ATM (0.42) ATMMAPTLMNAMEN1KMT2A
Iodide SCHEMBL9305622 0.88 ATM (0.48) ATMMAPTLMNAMEN1KMT2A

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