SCHEMBL8425512

SCHEMBL8425512

N#Cc1cc(F)c(-c2c(C(F)(F)F)n(N)c(=O)[nH]c2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 1/20 0.34
BCAT2 O15382 5/20 0.32
BCAT1 P54687 5/20 0.32
DAO P14920 3/20 0.32
PGR P06401 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
SCHEMBL8906963 0.85 L3MBTL1 (0.36) TRPV4PDE4APDE4BPDE4CPDE4D
SCHEMBL8420336 0.81 BCAT2 (0.31) BCAT2BCAT1
SCHEMBL8420772 0.80 SMN1; SMN2 (0.35) BCAT2BCAT1DAO
SCHEMBL9023675 0.79 TRPV4 (0.33) TRPV4PDE4APDE4BPDE4CPDE4D
SCHEMBL8381949 0.78 L3MBTL1 (0.34) BCAT2BCAT1PGR
SCHEMBL6984955 0.76 BCAT2 (0.36) PDE4APDE4BPDE4CPDE4DBCAT2
SCHEMBL7029446 0.76 GPBAR1 (0.33) BCAT2BCAT1
SCHEMBL7010249 0.75 KMT2A (0.36) BCAT2BCAT1PGR
SCHEMBL8594988 0.75 L3MBTL1 (0.34) BCAT2BCAT1PGR
SCHEMBL7027406 0.74 GPBAR1 (0.32)

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
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
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