Potassium Ion

Potassium Ion

SCHEMBL9756767

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

nearest known ligand 0.41

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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 0.37
KDM4E B2RXH2 5/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
APEX1 P27695 3/20 0.39
RECQL P46063 3/20 0.39
BLM P54132 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NSD2 O96028 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.39
TOP1 P11387 3/20 0.37
TOP2A P11388 3/20 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
SCHEMBL9756892 0.84 LMNA (0.41) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL9756765 0.83 LMNA (0.40) KDM4ELMNAPOLBTDP1MAPT
Potassium Ion SCHEMBL9756777 0.77 KDM4E (0.33) KDM4ELMNAPOLBTDP1MAPT
Potassium Ion SCHEMBL3222667 0.68 DUSP5 (0.59) POLBAPEX1PTGS1DUSP5MEN1
Potassium Ion SCHEMBL3197339 0.66 PTGS1 (0.54) LMNAPOLBGAAALDH1A1PTGS1
SCHEMBL23067301 0.66 HDAC6 (0.62) KDM4EPOLBMAPTGAARECQL
SCHEMBL29557094 0.66 HDAC6 (0.62) KDM4EPOLBMAPTGAARECQL
SCHEMBL9756720 0.65 ALDH1A1 (0.67) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL6244912 0.65 DUSP5 (0.51) KDM4ELMNAPOLBTDP1MAPT
SCHEMBL469871 0.65 KDM4E (0.61) KDM4ELMNAPOLBTDP1MAPT

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