SCHEMBL7015287

SCHEMBL7015287

N#Cc1cc(F)c(-n2c(C(F)(F)Cl)cc(=O)[nH]c2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 11/20 0.41
BCAT2 O15382 10/20 0.41
ALDH1A1 P00352 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
DAO P14920 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGR P06401 1/20 0.31
USP14 P54578 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
SCHEMBL7537781 0.90 BCAT2 (0.45) BCAT1BCAT2ALDH1A1TRPV4MEN1
SCHEMBL9023737 0.78 MAPT (0.44) BCAT1BCAT2ALDH1A1TRPV4MEN1
SCHEMBL8546322 0.76 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL5922790 0.74 BCAT1 (0.67) BCAT1BCAT2
SCHEMBL7740917 0.74 BCAT1 (0.45) BCAT1BCAT2ALDH1A1TRPV4PGR
SCHEMBL8600186 0.73 BCAT2 (0.39) BCAT1BCAT2PGR
SCHEMBL8602347 0.72 BCAT2 (0.39) BCAT1BCAT2PGR
SCHEMBL8422383 0.72 BCAT2 (0.40) BCAT1BCAT2ALDH1A1MAPTHSD17B10
SCHEMBL8420147 0.71 BCAT2 (0.41) BCAT1BCAT2ALDH1A1
SCHEMBL8578733 0.70 AR (0.34) BCAT1BCAT2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272478-A1 SUBSTITUTED PHENYLURACILS Bayer Aktiengesellschaft (DE) 2003-01-08 EP disclosed
EP-1192140-A1 SUBSTITUTED HERBICIDAL PHENYLURACILS Bayer Aktiengesellschaft (DE) 2002-04-03 EP disclosed
WO-2001077084-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2001-10-18 WO disclosed
WO-2000078734-A1 SUBSTITUTED HERBICIDAL PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed