SCHEMBL4555868

SCHEMBL4555868

O=C(NCc1ccc(F)cc1)c1nc2cccc(Br)n2c(=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C9 P11712 1/20 0.44
CALCA P06881 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL826035 0.80 TP53 (0.48) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1876737 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823326 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL4555867 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823318 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823370 0.75 KCNE1 (0.49) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823513 0.75 ERCC1 (0.48) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823340 0.75 KCNE1 (0.47) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823368 0.75 CYP2C9 (0.55) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL823459 0.74 MEN1 (0.58) SMN1; SMN2ERCC1FEN1ERCC4KCNE1

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-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed