SCHEMBL27907944

SCHEMBL27907944

CCc1cc(CC)c(C(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 3/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.42
PDK1 Q15118 1/20 0.42
PTGS1 P23219 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP19A1 P11511 1/20 0.40
FBP1 P09467 1/20 0.40
MEN1 O00255 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
SCHEMBL27907912 0.84 L3MBTL1 (0.51) VCAM1MAPK1CES2CES1ALDH1A1
SCHEMBL10350347 0.83 PTGS2 (0.54) PTGS2ALDH1A1PTGS1
SCHEMBL27907999 0.83 CES2 (0.52) VCAM1MAPK1PTGS2CES2CES1
SCHEMBL27907808 0.81 ALDH1A1 (0.47) VCAM1MAPK1PTGS2CES2CES1
SCHEMBL27926103 0.80 CYP19A1 (0.60) VCAM1MAPK1CES2CES1ALDH1A1
SCHEMBL27907821 0.79 POLB (0.50) VCAM1MAPK1CES2CES1ALDH1A1
SCHEMBL27907954 0.79 PTGS2 (0.43) VCAM1MAPK1PTGS2ALDH1A1KMT2A
SCHEMBL28079652 0.78 MAPK1 (0.48) VCAM1MAPK1CES2CES1ALDH1A1
SCHEMBL27926014 0.78 MAPK1 (0.48) VCAM1MAPK1CES2CES1ALDH1A1
SCHEMBL1647802 0.77 MAPK1 (0.64) VCAM1MAPK1PTGS2CES2CES1

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