SCHEMBL8779675

SCHEMBL8779675

CCOc1cc(C=C2CCN(C(N)=O)C2=O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.57
KMT2A Q03164 12/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 5/20 0.56
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
PIM1 P11309 2/20 0.50
PIM3 Q86V86 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
TOP2A P11388 1/20 0.47

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
SCHEMBL8779669 1.00 MEN1 (0.57) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3327410 0.74 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL29539937 0.74 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3327414 0.74 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8779657 0.72 CYP2C9 (0.55) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL8779651 0.72 CYP2C9 (0.55) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL8779760 0.71 ALDH1A1 (0.47) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL8779758 0.71 ALDH1A1 (0.47) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL15421801 0.71 PIM1 (0.68) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL28084957 0.71 MEN1 (0.60) MEN1KMT2ARAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed