Iodide

Iodide

SCHEMBL9307426

CCCCCCCCCCCCCCOc1cccc(CNC(=O)c2ccc[n+](C)c2)c1C.[I-]

nearest known ligand 0.48

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 13)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
PABPC1 P11940 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMPD1 P17405 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL9307573 0.90 USP2 (0.41) USP2MAPK1SMPD1CYP1A2MAPT
Iodide SCHEMBL9306740 0.85 HPGD (0.43) USP2MAPK1SMPD1CYP1A2MAPT
Iodide SCHEMBL9306472 0.85 HPGD (0.43) USP2MAPK1SMPD1CYP1A2MAPT
Iodide SCHEMBL9305740 0.81 USP2 (0.47) USP2MAPK1SMPD1CYP1A2MAPT
Iodide SCHEMBL9307614 0.79 SMN1; SMN2 (0.54) CYP1A2MAPTCYP2C9HPGDCYP2C19
Iodide SCHEMBL9307378 0.78 S1PR2 (0.52)
Iodide SCHEMBL9307632 0.78 S1PR2 (0.52) SMPD1SMN1; SMN2
Iodide SCHEMBL9308954 0.78 S1PR2 (0.52) SMPD1SMN1; SMN2
Iodide SCHEMBL9307679 0.78 NPSR1 (0.40) MAPT
SCHEMBL8057857 0.74 NAAA (0.66) APOBEC3AAPOBEC3GUSP2KDM4EMAPT

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