Potassium Ion

Potassium Ion

SCHEMBL9811290

CCC(CC(=O)[O-])(C([O-])=S)c1nc2ccccc2s1.[K+].[K+]

nearest known ligand 0.43

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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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASR P41180 4/20 0.40
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
STAT1 P42224 1/20 0.38
LMNA P02545 1/20 0.38
ADORA1 P30542 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL9811027 0.98 MAPT (0.40) MAPTMEN1KMT2AKDM4EGAA
Potassium Ion SCHEMBL9811283 0.90 CASR (0.41) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL9811025 0.88 CASR (0.41) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL9811091 0.87 NPC1 (0.41) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL9811183 0.83 SMN1; SMN2 (0.42) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL9811001 0.80 CASR (0.44) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL28565003 0.79 CASR (0.47) MAPTMEN1KMT2AGAACASR
Methylamine SCHEMBL9811128 0.78 SLC13A5 (0.44) KMT2ACASRNPC1RAB9ASMN1; SMN2
SCHEMBL9811089 0.77 CASR (0.39) MAPTKMT2ACASRNPC1RAB9A
Zinc Ion SCHEMBL9811236 0.77 MAPT (0.42) MAPTMEN1KMT2AKDM4EGAA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed