SCHEMBL7499656

SCHEMBL7499656

N#Cc1cc(F)c(-n2c(=O)cc(C(F)(F)F)oc2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 13/20 0.41
BCAT1 P54687 13/20 0.41
TRPV4 Q9HBA0 1/20 0.37
USP14 P54578 1/20 0.31

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
SCHEMBL5868486 0.80 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL5922790 0.74 BCAT1 (0.67) BCAT2BCAT1
SCHEMBL8193759 0.73 BCAT2 (0.40) BCAT2BCAT1TRPV4USP14
SCHEMBL8927953 0.73 BCAT2 (0.40) BCAT2BCAT1TRPV4USP14
SCHEMBL7696171 0.72 BCAT1 (0.53) BCAT2BCAT1
SCHEMBL7692441 0.71 BCAT2 (0.39) BCAT2BCAT1TRPV4USP14
SCHEMBL8190553 0.70 AR (0.42) BCAT2BCAT1TRPV4USP14
SCHEMBL7694103 0.69 MEN1 (0.40) BCAT2BCAT1TRPV4
SCHEMBL7082848 0.69 BCAT2 (0.38) BCAT2BCAT1TRPV4USP14
SCHEMBL7537781 0.68 BCAT2 (0.45) BCAT2BCAT1TRPV4

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-0948482-B1 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 2002-04-03 EP disclosed
US-6136975-A Method for producing trifluoroacetoacetic acid anilides BAYER AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-0948482-A2 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 1999-10-13 EP disclosed
EP-0946521-A1 METHOD FOR PRODUCING 3-AMINO-1-PHENYL-URACIL DERIVATIVES BY MAKING 3,4-DIHYDRO-2H-1,3-OXYAZINE-2,4 DION DERIVATIVES TO REACT WITH HYDRAZINE (ADDUCTS) BAYER AG (DE) 1999-10-06 EP disclosed
EP-0946522-A1 METHOD FOR PRODUCING 1-PHENYL-URACIL DERIVATIVES BAYER AG (DE) 1999-10-06 EP disclosed
WO-1998027057-A2 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998027068-A1 METHOD FOR PRODUCING 3-AMINO-1-PHENYL-URACIL DERIVATIVES BY MAKING 3,4-DIHYDRO-2H-1,3-OXYAZINE-2,4 DION DERIVATIVES TO REACT WITH HYDRAZINE (ADDUCTS) BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998027067-A1 METHOD FOR PRODUCING 1-PHENYL-URACIL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed