SCHEMBL7162001

SCHEMBL7162001

CON=Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 20/20 0.54
BCAT2 O15382 18/20 0.54

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
SCHEMBL8105362 0.89 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL8105366 0.89 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL23635731 0.86 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL23635703 0.86 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL30084588 0.83 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL30084587 0.83 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL7895897 0.83 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL8105838 0.82 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL8105836 0.82 BCAT1 (0.49) BCAT1BCAT2
SCHEMBL7162422 0.81 BCAT1 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879239-B1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AG (DE) 2003-04-23 EP disclosed
EP-0879239-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-11-25 EP disclosed
WO-1997030060-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed