SCHEMBL8566733

SCHEMBL8566733

COc1ccc(Cn2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 3/20 0.52
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
BCAT2 O15382 2/20 0.46
BCAT1 P54687 2/20 0.46
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
P2RX4 Q99571 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
FABP4 P15090 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL8525560 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL4762572 0.81 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL7556878 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ABCAT2BCAT1SMN1; SMN2
SCHEMBL8612009 0.77 BCAT2 (0.41) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8612850 0.76 BCAT2 (0.40) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL27174639 0.75 RGS4 (0.49) ALDH1A1KMT2AMAPTMEN1P2RX4
SCHEMBL30999955 0.75 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8570267 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8612943 0.74 BCAT2 (0.37) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8818440 0.74 BCAT1 (0.50) ALDH1A1MAPTKDM4EBCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305033-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2024-01-17 EP disclosed
CN-110546152-B Bicyclic pesticide compounds 巴斯夫欧洲公司 2023-09-08 CN disclosed
WO-2022189189-A1 TRICYCLIC PESTICIDAL COMPOUNDS BASF SE (DE) 2022-09-15 WO disclosed
CN-110546152-A Bicyclic pesticidal compounds BASF SE 2019-12-06 CN disclosed
EP-3436457-A1 BICYCLIC COMPOUNDS BASF SE (DE) 2019-02-06 EP disclosed
CN-108779121-A Dicyclic compound 巴斯夫欧洲公司 2018-11-09 CN disclosed
WO-2017167832-A1 BICYCLIC COMPOUNDS BASF SE (DE) 2017-10-05 WO disclosed
US-5780630-A 1-METHYL-6-TRIFLUOROMETHYL-2,4(1H,3H)PYRIMIDINEDIONE AS AN INTERMEDIATE FOR HERBICIDES E.G. 1-METHYL-6-TRIFLUOROMETHYL-3-(4-METHOXYPHENYLMETHYL) -2,4(1H,3H)PYRIMIDINEDIONE FMC CORPORATION (US) 1998-07-14 US disclosed
WO-1998008824-A1 AN INTERMEDIATE USEFUL IN THE SYNTHESIS OF PESTICIDAL URACILS FMC CORPORATION (US) 1998-03-05 WO disclosed