SCHEMBL4555867

SCHEMBL4555867

O=C(NCc1ccc(F)cc1)c1nc2c(Br)cccn2c(=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

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
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 1/20 0.43
CALCA P06881 1/20 0.43

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
SCHEMBL1886479 0.88 THRB (0.57) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL12952653 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1877321 0.87 SMN1; SMN2 (0.49) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL4637379 0.86 SMN1; SMN2 (0.48) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1874288 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1881737 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1877381 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL1881581 0.84 KCNH2 (0.46) SMN1; SMN2ERCC1FEN1ERCC4KCNE1
SCHEMBL1875688 0.84 HDAC1 (0.49) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL1881234 0.83 KCNH2 (0.46) 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