Potassium Ion

Potassium Ion

SCHEMBL9152245

Cc1c(S(=O)(=O)[O-])c(NCCN)c2cc(S(=O)(=O)[O-])cc3c2c1C(=O)NC3=O.NCCNc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)NC2=O.[K+].[K+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL301992 0.84 MEN1 (0.30) —
Potassium Ion SCHEMBL3929526 0.81 CLTC (0.31) —
SCHEMBL19357602 0.67 PRKD3 (0.34) —
SCHEMBL170998 0.64 ALDH1A1 (0.39) —
SCHEMBL27426620 0.63 CASP6 (0.38) —
Potassium Ion SCHEMBL9152893 0.61 — —
SCHEMBL28120681 0.61 MEN1 (0.39) —
SCHEMBL9293198 0.60 CASP6 (0.47) —
SCHEMBL2380693 0.57 NT5E (0.40) —
SCHEMBL2405485 0.56 MEN1 (0.49) —

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-5397708-A Method for detection of sulfides NALCO CHEMICAL COMPANY (US) 1995-03-14 — — US disclosed
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