SCHEMBL8580729

SCHEMBL8580729

CC(C)Oc1ccc(-n2ncc(=O)n(C)c2=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
BRPF1 P55201 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 8/20 0.36
P2RX3 P56373 1/20 0.36
NPBWR1 P48145 1/20 0.35
HTR1A P08908 1/20 0.35
LRRK2 Q5S007 2/20 0.34
BTK Q06187 1/20 0.34
MAPK14 Q16539 2/20 0.33
CPS1 P31327 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
SCHEMBL8581187 0.80 THRB (0.42) BRD4BRPF1NPBWR1LRRK2BTK
SCHEMBL10624240 0.80 L3MBTL1 (0.54) L3MBTL1MAPK14
SCHEMBL8580312 0.78 L3MBTL1 (0.43) L3MBTL1MAPK14
SCHEMBL10412883 0.78 L3MBTL1 (0.40) L3MBTL1MAPK14
SCHEMBL8814991 0.75 DHODH (0.36) DHODHMAPK14
SCHEMBL10458512 0.71 PPOX (0.41) DHODH
SCHEMBL10460517 0.71 PPOX (0.51) BRD4BRPF1NPBWR1
SCHEMBL10460062 0.70 PPOX (0.44) DHODH
SCHEMBL10408509 0.69 NPBWR1 (0.40) NPBWR1HTR1AMAPK14
SCHEMBL7891358 0.68 L3MBTL1 (0.38) L3MBTL1DHODHHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
WO-1997008953-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1997-03-13 WO disclosed
EP-0656892-A1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1995-06-14 EP disclosed
US-5344812-A 1-methyl-6 -trifluoromethyl-2,4-pyrimidinedione-3-yl derivative as plant growth regulators FMC CORPORATION (US) 1994-09-06 US disclosed
WO-1994004514-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1994-03-03 WO disclosed
US-5262390-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1993-11-16 US disclosed