SCHEMBL8425819

SCHEMBL8425819

CCOC(=O)CC1=NN(c2ccc(N)cc2)C(=O)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
GAA P10253 6/20 0.60
ALDH1A1 P00352 8/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 6/20 0.55
KDM4E B2RXH2 5/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.48
SHMT2 P34897 1/20 0.48
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4664663 0.88 GAA (0.76) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL6953402 0.88 GAA (0.60) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL8427551 0.83 GAA (0.58) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL8428059 0.80 GAA (0.53) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL5462729 0.77 GAA (0.63) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL5459337 0.76 MAPT (0.62) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL5928911 0.75 GAA (0.60) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL10497099 0.75 LMNA (0.44) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL9382338 0.75 TBXAS1 (0.53) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL9382351 0.75 MEN1 (0.44) MEN1KMT2AGAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066138-C 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 2001-05-23 CN disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed
CN-1141291-A 4-(Arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 1997-01-29 CN disclosed