Potassium Ion

Potassium Ion

SCHEMBL9756777

CNN(C)C(=O)c1cc(O)c(O)c(S(=O)(=O)[O-])c1.CNN(C)C(=O)c1cc(O)c(O)c(S(=O)(=O)[O-])c1.[K+].[K+]

nearest known ligand 0.33

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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
PTGS1 known ✓ P23219 1/20 0.32
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FUT7 Q11130 2/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 1/20 0.33
GFER P55789 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DUSP5 Q16690 1/20 0.32
ACLY P53396 1/20 0.31
SNCA P37840 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
NSD2 O96028 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL9756793 0.85 LMNA (0.35) KDM4ELMNATDP1POLBGAA
SCHEMBL9756775 0.84 LMNA (0.34) KDM4ELMNATDP1POLBGAA
Potassium Ion SCHEMBL9756767 0.77 KDM4E (0.39) KDM4ELMNATDP1POLBGAA
Potassium Ion SCHEMBL3222667 0.66 DUSP5 (0.59) POLBDUSP5PTGS1APEX1CA12
SCHEMBL6244912 0.63 DUSP5 (0.51) KDM4ELMNATDP1POLBNFKB1
SCHEMBL2119014 0.63 KDM4E (0.52) KDM4ELMNATDP1POLBGAA
SCHEMBL31393 0.62 DUSP5 (0.59) POLBDUSP5PTGS1APEX1CA12
Tiron SCHEMBL22220 0.62 DUSP5 (0.65) POLBDUSP5PTGS1APEX1CASP6
SCHEMBL11856269 0.62 KMT2A (0.49) LMNATDP1POLBGAAL3MBTL1
SCHEMBL9328871 0.62 DUSP5 (0.59) POLBDUSP5PTGS1APEX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed