Iodide

SCHEMBL9306950

CCCCCCCCCCCCCCOc1ccc(COC(=O)N(Cc2cc[n+](CC)cc2)C(C)=O)cc1Cl.[I-]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ACHE CHRM1 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG

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 7)

	gene	UniProt	supporting neighbours	confidence
▸	ATM	Q13315	1/20	0.52

▸	THRA	P10827	1/20	0.41

▸	THRB	P10828	1/20	0.41

▸	S1PR2	O95136	1/20	0.41

▸	S1PR1	P21453	1/20	0.41

▸	S1PR3	Q99500	1/20	0.41

▸	LPAR2	Q9HBW0	1/20	0.41

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.

Compound	similarity	top predicted	shared targets
Iodide SCHEMBL9306097	0.94	ATM (0.52)	ATMTHRATHRBS1PR2S1PR1
Iodide SCHEMBL9306937	0.92	ATM (0.53)	ATMTHRATHRB
Iodide SCHEMBL9306888	0.90	THRA (0.42)	THRATHRB
Iodide SCHEMBL9305622	0.90	ATM (0.48)	ATM
Iodide SCHEMBL9307695	0.89	ATM (0.43)	ATMTHRATHRB
Iodide SCHEMBL9305299	0.88	THRA (0.43)	THRATHRB
Iodide SCHEMBL9307459	0.86	ATM (0.41)	ATMTHRATHRB
Iodide SCHEMBL9306915	0.86	ATM (0.50)	ATM
Iodide SCHEMBL9306278	0.85	THRA (0.41)	THRATHRB
Iodide SCHEMBL9306819	0.85	ATM (0.48)	ATM

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5328921-A	Antagonist of platelet activating factor	AMERICAN CYANAMID COMPANY (US)	1994-07-12	—	—	US	disclosed