Potassium Ion

Potassium Ion

SCHEMBL8627336

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[O-])cs1.[K+]

nearest known ligand 0.39

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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
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
SIRT1 Q96EB6 1/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PI4KB Q9UBF8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2877169 0.92 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2877172 0.92 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2877170 0.92 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8627333 0.91 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
Potassium SCHEMBL8627342 0.91 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8575344 0.87 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8441610 0.84 SIRT1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9364230 0.84 SIRT1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9060569 0.82 LMNA (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9060577 0.82 LMNA (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8

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
JP-10168071-A None JP disclosed
JP-H10168071-A 2-AMINOTHIAZOLEACETIC ACID SALT DERIVATIVE AND ITS PRODUCTION TOKUYAMA CORP 1998-06-23 JP disclosed