Iodide

Iodide

SCHEMBL9307306

CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cc[n+](C)cc2)cc1Cl.[I-]

nearest known ligand 0.70

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
S1PR2 O95136 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
LPAR2 Q9HBW0 1/20 0.55
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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 SCHEMBL9307440 1.00 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2APOBEC3A
Iodide SCHEMBL9305017 0.92 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2THRA
Iodide SCHEMBL9308305 0.92 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2THRA
Iodide SCHEMBL9306369 0.92 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2THRA
Iodide SCHEMBL9307333 0.90 POLB (0.52) S1PR2S1PR1S1PR3LPAR2APOBEC3A
Iodide SCHEMBL9306636 0.90 POLB (0.52) S1PR2S1PR1S1PR3LPAR2APOBEC3A
Iodide SCHEMBL9307378 0.88 S1PR2 (0.52) S1PR2S1PR1S1PR3LPAR2THRA
Iodide SCHEMBL9307604 0.88 S1PR2 (0.55) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
Iodide SCHEMBL9306329 0.86 THRA (0.48) APOBEC3ACTDSP1APOBEC3GTHRATHRB
Iodide SCHEMBL9306202 0.86 THRA (0.48) APOBEC3ACTDSP1APOBEC3GTHRATHRB

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