SCHEMBL7020145

SCHEMBL7020145

Nn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cccc(F)c3[N+](=O)[O-])c(Cl)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 10/20 0.37
BCAT2 O15382 9/20 0.37
EPAS1 Q99814 2/20 0.34
VEGFA P15692 1/20 0.32
CETP P11597 1/20 0.31
HPGD P15428 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
SCHEMBL6780468 0.89 HPGD (0.43) BCAT1BCAT2HPGD
SCHEMBL7024892 0.86 BCAT1 (0.43) BCAT1BCAT2
SCHEMBL7027089 0.85 HSPB1 (0.40) BCAT1BCAT2EPAS1HPGD
SCHEMBL7015227 0.85 BCAT1 (0.35) BCAT1BCAT2HPGD
SCHEMBL7026595 0.85 BCAT1 (0.41) BCAT1BCAT2HPGD
SCHEMBL7015650 0.85 PDE7A (0.41) BCAT1BCAT2
SCHEMBL7019065 0.83 MERTK (0.35) BCAT1BCAT2
SCHEMBL7021987 0.83 PDE7A (0.41) BCAT1BCAT2
SCHEMBL7025398 0.83 CYP1A2 (0.41) BCAT1BCAT2EPAS1VEGFA
SCHEMBL7023372 0.83 BCAT1 (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP disclosed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 WO disclosed