SCHEMBL12952902

SCHEMBL12952902

Nc1cc(I)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
HDAC1 Q13547 2/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CALCA P06881 1/20 0.39

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
SCHEMBL12952653 0.82 SMN1; SMN2 (0.47) ERCC1FEN1ERCC4SMN1; SMN2KCNE1
SCHEMBL823513 0.82 ERCC1 (0.48) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL823492 0.81 KCNQ3 (0.44) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL12952647 0.76 MEN1 (0.53) ERCC1FEN1ERCC4SMN1; SMN2KCNE1
SCHEMBL12894148 0.76 PSMD14 (0.44) ERCC1ERCC4KCNE1CCR1KCNQ1
SCHEMBL4555867 0.75 SMN1; SMN2 (0.48) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL1886479 0.74 THRB (0.57) ERCC1FEN1ERCC4SMN1; SMN2KCNE1
SCHEMBL12952738 0.74 ERCC1 (0.36) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL823370 0.74 KCNE1 (0.49) ERCC1FEN1ERCC4SMN1; SMN2KCNE1
SCHEMBL823326 0.74 SMN1; SMN2 (0.47) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1

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-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed