SCHEMBL27926014

SCHEMBL27926014

CCc1ccc([N+](=O)[O-])c(C(=O)c2ccccc2)c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
VCAM1 P19320 1/20 0.44
PDK1 Q15118 1/20 0.43
FBP1 P09467 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40
CDC25B P30305 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL28079652 0.88 MAPK1 (0.48) MAPK1VCAM1PDK1FBP1TDP1
SCHEMBL28865032 0.86 MAPK1 (0.46) MAPK1VCAM1FBP1TDP1L3MBTL1
SCHEMBL27907912 0.82 L3MBTL1 (0.51) MAPK1VCAM1FBP1TDP1L3MBTL1
SCHEMBL27907793 0.79 MAPK1 (0.48) MAPK1VCAM1FBP1CES2CES1
SCHEMBL21629368 0.79 MAPK1 (0.45) MAPK1VCAM1TDP1L3MBTL1CES2
SCHEMBL27907917 0.78 VCAM1 (0.54) MAPK1VCAM1PDK1FBP1CES2
SCHEMBL27907899 0.78 MAPK1 (0.40) MAPK1VCAM1ALDH1A1MAPTPOLB
SCHEMBL27907944 0.78 VCAM1 (0.47) MAPK1VCAM1PDK1FBP1CES2
SCHEMBL1647802 0.78 MAPK1 (0.64) MAPK1VCAM1PDK1TDP1L3MBTL1
SCHEMBL1609756 0.78 MAPK1 (0.64) MAPK1VCAM1PDK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-103180300-B Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed