SCHEMBL8694199

SCHEMBL8694199

CC(C)Cn1c(C(F)(F)F)nc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 18/20 0.43
BCAT2 O15382 16/20 0.42
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8695603 0.85 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL8696859 0.83 BCAT1 (0.39) BCAT1BCAT2KDM4EMAPK1ALDH1A1
SCHEMBL8695644 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8695355 0.79 LMNA (0.31)
SCHEMBL8697452 0.79 BCAT1 (0.43) BCAT1BCAT2
SCHEMBL9032574 0.69 BCAT1 (0.46) BCAT1BCAT2ALDH1A1
SCHEMBL8694218 0.69 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL9031886 0.68 BCAT1 (0.43) BCAT1BCAT2KDM4EALDH1A1
SCHEMBL7563198 0.68 BCAT1 (0.43) BCAT1BCAT2
SCHEMBL7668423 0.68 BCAT1 (0.54) BCAT1BCAT2ALDH1A1

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