SCHEMBL28297910

SCHEMBL28297910

O=C(ON1C(=O)C=CC1=O)c1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.55
FAAH O00519 4/20 0.55
HSP90AA1 P07900 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 2/20 0.46
NSD2 O96028 1/20 0.45
G6PD P11413 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL79589 0.88 MAPK1 (0.54) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL29354362 0.88 MAPK1 (0.54) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL21530848 0.87 ATM (0.38) MGLLFAAHHSP90AA1KMT2AALDH1A1
SCHEMBL28752522 0.83 GAA (0.62) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL27753576 0.83 MGLL (0.56) MGLLFAAHHSP90AA1MAPTMEN1
Succinic Acid SCHEMBL28454817 0.82 MAPK1 (0.51) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL21855116 0.82 GAA (0.44) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL12410091 0.81 GAA (0.46) MGLLFAAHHSP90AA1MAPTMEN1
SCHEMBL21530849 0.81 CA12 (0.43) MAPTMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL8530013 0.80 MGLL (0.67) MGLLFAAHHSP90AA1MAPTMEN1

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-109844629-A LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT AND POLYMER JSR株式会社 2019-06-04 CN disclosed