SCHEMBL27907899

SCHEMBL27907899

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VCAM1 P19320 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL27908005 0.89 CYP19A1 (0.40) MAPK1CYP19A1ALDH1A1PTGS1PTGS2
SCHEMBL27907988 0.82 AKR1C3 (0.43) MAPK1ALDH1A1GAAMAPTLMNA
SCHEMBL28061945 0.80 CYP19A1 (0.38) MAPK1CYP19A1ALDH1A1PTGS1PTGS2
SCHEMBL743150 0.79 MAPT (0.47) ALDH1A1PTGS1PTGS2GAAMAPT
SCHEMBL27926028 0.79 MAPK1 (0.41) MAPK1CYP19A1ALDH1A1PTGS2GAA
SCHEMBL30349631 0.79 PTGS2 (0.45) MAPK1ALDH1A1PTGS1PTGS2GAA
SCHEMBL27926014 0.78 MAPK1 (0.48) MAPK1CYP19A1ALDH1A1MAPTLMNA
SCHEMBL27907793 0.78 MAPK1 (0.48) MAPK1CYP19A1ALDH1A1GAALMNA
SCHEMBL27925997 0.77 ALDH1A1 (0.49) MAPK1CYP19A1ALDH1A1PTGS1PTGS2
SCHEMBL27926097 0.77 ALDH1A1 (0.58) MAPK1CYP19A1ALDH1A1GAAMAPT

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