SCHEMBL8580312

SCHEMBL8580312

Cn1c(=O)cnn(-c2ccc(O)cc2F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 2/20 0.42
HSD17B13 Q7Z5P4 1/20 0.38
MAPK14 Q16539 6/20 0.36
GAA P10253 2/20 0.33
P2RX7 Q99572 1/20 0.33
AR P10275 1/20 0.33
CAPN1 P07384 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10624240 0.85 L3MBTL1 (0.54) L3MBTL1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL10577807 0.83 L3MBTL1 (0.40) L3MBTL1MAPK14P2RX7
SCHEMBL10412883 0.83 L3MBTL1 (0.40) L3MBTL1MAPK14P2RX7CYP2D6CYP2C9
SCHEMBL10408511 0.78 P2RX7 (0.36) L3MBTL1HSD17B13MAPK14P2RX7CYP2D6
SCHEMBL8580729 0.78 BRD4 (0.45) L3MBTL1MAPK14
SCHEMBL10413922 0.72 P2RX7 (0.34) L3MBTL1P2RX7
SCHEMBL10610908 0.71 SMN1; SMN2 (0.39) GAAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL7891358 0.70 L3MBTL1 (0.38) L3MBTL1GAA
SCHEMBL10413460 0.69 PKM (0.38) P2RX7KDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL10460255 0.68 PPOX (0.46) GAA

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 8 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-1997020641-A1 METHOD FOR PROTECTING A METAL PART FROM CORROSION AND/OR PREPARING IT FOR SHAPING SOLLAC S.A. (FR) 1997-06-12 WO 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