SCHEMBL8688949

SCHEMBL8688949

CC(C)(C)c1nc2c(Cl)ccc(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)c2o1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8689082 0.89 MAT2A (0.31) MAT2AMEN1KMT2ATDP1
SCHEMBL8689319 0.83
SCHEMBL8688237 0.78 BCAT1 (0.47)
SCHEMBL8688745 0.75 NOTUM (0.31)
SCHEMBL8691661 0.71
SCHEMBL8783930 0.71
SCHEMBL8783781 0.70
SCHEMBL5387250 0.70 BCAT2 (0.34)
SCHEMBL8948787 0.69 PGR (0.33)
SCHEMBL6679295 0.69

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
US-5753595-A Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones FMC CORPORATION (US) 1998-05-19 US disclosed
WO-1997008170-A1 HERBICIDAL 3-(SUBSTITUTED BENZOXAZOL-7-YL) AND 3-(SUBSTITUTED BENZOTHIAZOL-7-YL)-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)PYRIMIDINEDIONES FMC CORPORATION (US) 1997-03-06 WO disclosed