Iodide

SCHEMBL8328413

COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc4c(c3)OCCO4)ncnc2OCCOC(=O)Nc2ccc[n+](C)c2)c1.[I-]

nearest known ligand 0.47

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 3)

	gene	UniProt	supporting neighbours	confidence
▸	EDNRA	P25101	8/20	0.47

▸	EDNRB	P24530	6/20	0.47

▸	MAPT	P10636	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8327282	0.89	EDNRA (0.50)	EDNRAEDNRB
SCHEMBL8328455	0.86	EDNRA (0.49)	EDNRAEDNRB
SCHEMBL8323957	0.85	EDNRA (0.48)	EDNRAEDNRBMAPT
SCHEMBL8326049	0.85	EDNRA (0.49)	EDNRAEDNRB
SCHEMBL9092023	0.85	EDNRA (0.50)	EDNRAEDNRB
SCHEMBL8322011	0.84	EDNRA (0.48)	EDNRAEDNRBMAPT
SCHEMBL8322713	0.83	EDNRA (0.51)	EDNRAEDNRB
SCHEMBL8322048	0.83	EDNRA (0.57)	EDNRAEDNRBMAPT
SCHEMBL8325897	0.82	EDNRA (0.48)	EDNRAEDNRB
SCHEMBL8327090	0.82	EDNRA (0.47)	EDNRAEDNRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0633259-B1	Sulfonylaminopyrimidines, their preparation and their use as medicine	HOFFMANN LA ROCHE (CH)	1999-01-13	—	—	EP	claimed
US-5541186-A	ENDOTHELIN RECEPTOR INHIBITORS	HOFFMANN-LA ROCHE INC. (US)	1996-07-30	—	—	US	disclosed