SCHEMBL6773086

SCHEMBL6773086

CN(C)S(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
PKM P14618 2/20 0.51
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6763586 0.84 PKM (0.49) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6767844 0.81 GAA (0.56) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6767993 0.80 GAA (0.54) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6766309 0.78 GAA (0.61) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6772720 0.77 GAA (0.51) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6763596 0.77 MAPT (0.63) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6763542 0.76 PKM (0.50) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6766573 0.76 GAA (0.58) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL2056376 0.73 GAA (0.63) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL13303940 0.73 GAA (0.68) GAAPKMALDH1A1SMN1; 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