SCHEMBL28067705

SCHEMBL28067705

O=COCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
POLB P06746 2/20 0.36
G6PD P11413 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL13141189 0.79 GAA (0.62) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL6763499 0.79 GAA (0.58) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL6767882 0.76 GAA (0.54) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL13303940 0.75 GAA (0.68) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL6767005 0.73 GAA (0.51) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL18235086 0.72 MAPT (0.38) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL11392894 0.72 CA2 (0.39) KMT2AMEN1
SCHEMBL3818109 0.72 GAA (0.63) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL9619832 0.72 GAA (0.63) GAAPKMKDM4EALDH1A1MAPT
SCHEMBL7597403 0.72 GAA (0.63) GAAPKMKDM4EALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622580-A Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2016-06-01 CN disclosed