SCHEMBL17009646

SCHEMBL17009646

Cc1cc([N+](=O)[O-])c(C)cc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 1/20 0.61
MAPK1 P28482 4/20 0.57
TSHR P16473 3/20 0.55
VCAM1 P19320 1/20 0.54
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CDC25B P30305 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL27908112 0.94 CES2 (0.61) CES2CES1MAPK1TSHRVCAM1
Acetonitrile SCHEMBL28068930 0.93 CES2 (0.55) CES2CES1MAPK1TSHRVCAM1
SCHEMBL27926228 0.89 ALDH1A1 (0.61) CES2CES1MAPK1TSHRVCAM1
SCHEMBL28190153 0.88 VCAM1 (0.58) CES2CES1MAPK1TSHRVCAM1
SCHEMBL28081290 0.88 VCAM1 (0.67) CES2CES1MAPK1TSHRVCAM1
SCHEMBL28230654 0.87 CES2 (0.54) CES2CES1MAPK1TSHRVCAM1
SCHEMBL28230663 0.87 CES2 (0.54) CES2CES1MAPK1TSHRVCAM1
Ammonia Solution, Strong SCHEMBL27873079 0.87 VCAM1 (0.65) CES2CES1MAPK1TSHRVCAM1
SCHEMBL27747489 0.85 CES2 (0.55) CES2CES1MAPK1TSHRVCAM1
SCHEMBL11481380 0.84 VCAM1 (0.57) CES2CES1MAPK1TSHRVCAM1

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 8 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
WO-2015121802-A1 BENZOYLPHENYL-FORMAMIDINES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2015-08-20 WO 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
CN-102203083-A Pyrimidine derivatives as kinase inhibitors IRM LLC 2011-09-28 CN disclosed