SCHEMBL28020568

SCHEMBL28020568

CC(=O)Cc1ccc(-c2ccccc2-c2ncccc2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42
BCAT2 O15382 1/20 0.41
ROCK2 O75116 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
PARP1 P09874 1/20 0.38
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NUDT1 P36639 1/20 0.36
BDKRB1 P46663 1/20 0.36

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
SCHEMBL15548944 0.82 BCAT2 (0.61) MKNK1MKNK2BCAT2KDM4EALDH1A1
SCHEMBL29516168 0.80 TDP1 (0.52) MKNK1MKNK2BCAT2ALDH1A1HPGD
SCHEMBL1685834 0.80 TDP1 (0.52) MKNK1MKNK2BCAT2ALDH1A1HPGD
SCHEMBL27947437 0.77 BCAT2 (0.43) MKNK1MKNK2AGTR1AGTR2BCAT2
SCHEMBL27909849 0.77 BCAT2 (0.43) MKNK1MKNK2AGTR1AGTR2BCAT2
SCHEMBL30108304 0.76 PARP1 (0.49) MKNK1MKNK2BCAT2ROCK2KDM4E
SCHEMBL28224388 0.76 PARP1 (0.49) MKNK1MKNK2BCAT2ROCK2KDM4E
SCHEMBL28700871 0.74 KDM4E (0.48) MKNK1MKNK2BCAT2KDM4EALDH1A1
SCHEMBL2330384 0.74 KMT2A (0.50) MKNK1MKNK2BCAT2KDM4EALDH1A1
SCHEMBL12592293 0.73 PLA2G2A (0.50) MKNK2ROCK2KDM4EALDH1A1PARP1

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-104754943-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN claimed
CN-104754940-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN claimed
CN-105658638-A compounds with insecticidal activity 拜耳作物科学股份公司 2016-06-08 CN disclosed
CN-105555136-A Heterocyclic sulfonamido (thio) carbonyl derivatives having nematicidal properties BAYER CROPSCIENCE AG 2016-05-04 CN disclosed
CN-105392365-A Heterocyclic compounds known and new as pest control agents BAYER CROPSCIENCE AG 2016-03-09 CN disclosed
CN-105357967-A Method for promoting plant growth using carboxamide derivatives BAYER CROPSCIENCE AG 2016-02-24 CN disclosed
CN-104754943-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN disclosed
CN-104754940-A Active compound combinations BAYER CROPSCIENCE AG 2015-07-01 CN disclosed