SCHEMBL8697452

SCHEMBL8697452

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc2c(cc1F)nc(C(F)(F)F)n2Cc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 12/20 0.43
BCAT2 O15382 11/20 0.43
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
PLA2G1B P04054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KMT2A Q03164 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL8697086 0.82 L3MBTL1 (0.39) GRIN1GRIN2BPPARGPLA2G1BL3MBTL1
SCHEMBL8695603 0.80 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL8694199 0.79 BCAT1 (0.43) BCAT1BCAT2
SCHEMBL8691597 0.71 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL29574224 0.71 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL8695016 0.69 KMT2A (0.44) PPARGKMT2A
SCHEMBL7564921 0.69 BCAT1 (0.44) BCAT1BCAT2
SCHEMBL13508774 0.68 GNRHR (0.49) PPARG
SCHEMBL8525560 0.67 ALDH1A1 (0.50) KMT2A
SCHEMBL8924085 0.66 BCAT1 (0.58) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed