Potassium

Potassium

SCHEMBL8627342

CC(C)(C)OC(=O)Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)cs1.[K]

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LCK P06239 2/20 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
SCHEMBL2877172 0.99 GAA (0.43) GAAMAPTLMNASIRT1NPC1
SCHEMBL2877169 0.99 GAA (0.43) GAAMAPTLMNASIRT1NPC1
SCHEMBL2877170 0.99 GAA (0.43) GAAMAPTLMNASIRT1NPC1
SCHEMBL8627333 0.98 GAA (0.43) GAAMAPTLMNASIRT1NPC1
Potassium Ion SCHEMBL8627336 0.91 HDAC3 (0.39) GAAMAPTLMNASIRT1NPC1
SCHEMBL8575344 0.86 HDAC3 (0.39) GAAMAPTLMNASIRT1NPC1
SCHEMBL9364230 0.85 SIRT1 (0.38) GAALMNASIRT1NPC1RAB9A
SCHEMBL8441610 0.85 SIRT1 (0.38) GAALMNASIRT1NPC1RAB9A
SCHEMBL27317178 0.84 MAPT (0.45) GAAMAPTLMNANPC1RAB9A
SCHEMBL20887071 0.84 LMNA (0.46) GAAMAPTLMNASIRT1NPC1

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