SCHEMBL8776029

SCHEMBL8776029

N#Cc1ccc(-n2c(=O)[nH]c(C(F)(F)F)c(N)c2=O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 5/20 0.39
BCAT1 P54687 5/20 0.39
AR P10275 8/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL7558670 0.70 KMT2A (0.51)
SCHEMBL7037742 0.69 AR (0.38) BCAT2BCAT1AR
SCHEMBL9037994 0.68 TP53 (0.36) BCAT2BCAT1AR
SCHEMBL31346316 0.67 AR (0.54) AR
SCHEMBL9036658 0.66 TP53 (0.37)
SCHEMBL24826936 0.64 BCAT1 (0.62) BCAT2BCAT1
SCHEMBL29779349 0.64 BCAT1 (0.62) BCAT2BCAT1
SCHEMBL8188639 0.63 BCAT2 (0.61) BCAT2BCAT1
SCHEMBL6815503 0.62 BCAT1 (0.54) BCAT2BCAT1
SCHEMBL5577035 0.62 ALDH1A1 (0.43) BCAT2BCAT1AR

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-0808310-A1 NOVEL 3-(4-CYANOPHENYL)URACILS BASF AKTIENGESELLSCHAFT (DE) 1997-11-26 EP disclosed
WO-1996024590-A1 NOVEL 3-(4-CYANOPHENYL)URACILS BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 WO disclosed