SCHEMBL8776030

SCHEMBL8776030

COc1cccc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
BCAT1 P54687 8/20 0.40
BCAT2 O15382 3/20 0.40
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
RECQL P46063 1/20 0.36
AR P10275 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
PIM1 P11309 1/20 0.35
GNRHR P30968 1/20 0.34

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
SCHEMBL7742111 0.78 BCAT1 (0.45) BCAT1BCAT2AR
SCHEMBL7039166 0.76 BCAT1 (0.45) KDM4EALDH1A1BCAT1BCAT2AR
SCHEMBL7021217 0.75 BCAT1 (0.45) BCAT1BCAT2
SCHEMBL7018002 0.70 BCAT1 (0.52) BCAT1BCAT2
SCHEMBL7556857 0.70 GSK3A (0.41) KDM4EALDH1A1GLAGAARECQL
SCHEMBL7019541 0.68 BCAT2 (0.40) BCAT1BCAT2
SCHEMBL5387250 0.68 BCAT2 (0.34) BCAT1BCAT2LMNA
SCHEMBL27480545 0.67 BCAT2 (0.34) BCAT1BCAT2
SCHEMBL6697539 0.66 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL9189042 0.65 BCAT1 (0.31) BCAT1

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