SCHEMBL8420336

SCHEMBL8420336

CC(C)OC(=O)c1cc(-c2c(C(F)(F)F)n(N)c(=O)[nH]c2=O)c(F)cc1C#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 4/20 0.31
BCAT1 P54687 4/20 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
SCHEMBL8425512 0.81 TRPV4 (0.35) BCAT2BCAT1
SCHEMBL7030894 0.72 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL7029446 0.71 GPBAR1 (0.33) BCAT2BCAT1
SCHEMBL8420772 0.71 SMN1; SMN2 (0.35) BCAT2BCAT1
SCHEMBL8422383 0.71 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL7950194 0.71 BCAT1 (0.57) BCAT2BCAT1
SCHEMBL7032618 0.71 MAPT (0.34)
SCHEMBL8906963 0.70 L3MBTL1 (0.36) BCAT2BCAT1
SCHEMBL8381949 0.70 L3MBTL1 (0.34) BCAT2BCAT1
SCHEMBL7010249 0.70 KMT2A (0.36) BCAT2BCAT1

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-0942905-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998025909-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed