SCHEMBL9728517

SCHEMBL9728517

O=C1C=CC(=O)N1Oc1ccc(ON2C(=O)C=CC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.41
FAAH O00519 5/20 0.38
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
HSP90AA1 P07900 3/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.35
BCHE P06276 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10455770 0.87 MGLL (0.62) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL7139394 0.69 MGLL (0.42) MGLLFAAHGSK3AGSK3BHSP90AA1
SCHEMBL10666060 0.69 MGLL (0.42) MGLLFAAHGSK3AGSK3BHSP90AA1
SCHEMBL819470 0.65
SCHEMBL2493031 0.65
SCHEMBL4385482 0.62 MGLL (0.84) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL487033 0.62 MGLL (0.84) MGLLFAAHHSP90AA1PKMMEN1
SCHEMBL865686 0.61 ALDH1A1 (0.35) MGLLFAAHGSK3AGSK3BHSP90AA1
SCHEMBL21840474 0.61 MGLL (0.35) MGLLFAAHGSK3AGSK3BALDH1A1
SCHEMBL19881149 0.61 MGLL (0.35) MGLLFAAHGSK3AGSK3BALDH1A1

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-5149827-A In presence of stabilizer at temperature higher than the melting point of maleimide NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1992-09-22 US disclosed
US-5045233-A Storage stability NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1991-09-03 US disclosed