SCHEMBL6767993

SCHEMBL6767993

CCS(=O)(=O)Cc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6763542 0.89 PKM (0.50) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6767844 0.84 GAA (0.56) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6766764 0.83 PKM (0.51) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6766309 0.81 GAA (0.61) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6772720 0.80 GAA (0.51) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6773086 0.80 GAA (0.51) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL2056376 0.80 GAA (0.63) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL5393113 0.77 GAA (0.59) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL13303940 0.75 GAA (0.68) GAAPKMALDH1A1SMN1; SMN2POLB
SCHEMBL6767696 0.75 GAA (0.53) 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