Potassium Ion

SCHEMBL962489

CCCCCS(=O)(=O)[N-]C(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(F)c(F)cc21.[K+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

AGTR1 DHFR GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART NR3C2 PBP2X PTGS1 PTGS2 VKORC1 bla blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA ftsI mrcA mrcB mrdA pbp1a pbp1b pbp2a pbp2b pbp3 pol thyA

The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Potassium Ion SCHEMBL965147	0.91	PTGDR2 (0.31)	—
Potassium Ion SCHEMBL963186	0.91	—	—
Potassium Ion SCHEMBL966080	0.87	ALDH1A1 (0.34)	—
Potassium Ion SCHEMBL965274	0.87	PPARG (0.33)	—
Potassium Ion SCHEMBL961574	0.87	MTNR1A (0.36)	—
Potassium Ion SCHEMBL966635	0.86	MTNR1A (0.36)	—
SCHEMBL968312	0.86	MAPT (0.36)	—
Potassium Ion SCHEMBL964247	0.85	MAPT (0.32)	—
SCHEMBL965777	0.85	MTNR1A (0.36)	—
SCHEMBL964863	0.84	PPARG (0.41)	—

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-20110009384-A1	FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA	TAKEDA PHARMACEUTICAL COMPANY LIMITED	2011-01-13	—	—	US	disclosed