SCHEMBL6763586

SCHEMBL6763586

CN(C)S(=O)(=O)CCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MEN1 O00255 2/20 0.38
GRIK1 P39086 1/20 0.37
GRIA1 P42261 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
SCHEMBL6773086 0.84 GAA (0.51) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6767696 0.83 GAA (0.53) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6766764 0.81 PKM (0.51) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL13303940 0.78 GAA (0.68) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL5393113 0.75 GAA (0.59) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL9800386 0.75 HDAC1 (0.45) GAAMAPT
SCHEMBL6763596 0.75 MAPT (0.63) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6766573 0.74 GAA (0.58) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6893722 0.73 GAA (0.49) PKMGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6767844 0.72 GAA (0.56) PKMGAAALDH1A1SMN1; SMN2POLB

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed