SCHEMBL7159752

SCHEMBL7159752

CCOP(=O)(OCC)C(Cl)=Cc1cc(-n2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)c(F)cc1Cl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 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
SCHEMBL8818661 0.90 BCAT1 (0.32) BCAT1
SCHEMBL7159835 0.77
SCHEMBL7162422 0.76 BCAT1 (0.33) BCAT1
SCHEMBL7892882 0.71 PPOX (0.40)
SCHEMBL7162971 0.71 PPOX (0.40)
SCHEMBL9387652 0.71 PPOX (0.45) BCAT1
SCHEMBL7163062 0.70 NR1I2 (0.35)
SCHEMBL7886188 0.70 NR1I2 (0.35)
SCHEMBL9038251 0.69
SCHEMBL7166302 0.69

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 1 patent. 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