SCHEMBL13729587

SCHEMBL13729587

Cc1ccc(-c2nccc(C(N)=O)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAP4K4 O95819 1/20 0.48
POLB P06746 2/20 0.47
SCN9A Q15858 2/20 0.46
GRM2 Q14416 3/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
XDH P47989 1/20 0.44
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PRNP P04156 1/20 0.42
GAA P10253 1/20 0.42
IKBKB O14920 1/20 0.42
PARP1 P09874 1/20 0.40
CHEK2 O96017 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KIF11 P52732 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
SCHEMBL34461785 0.85 XDH (0.56) KMT2AMEN1POLBNPC1SMN1; SMN2
SCHEMBL13726855 0.83 L3MBTL1 (0.51) MAP4K4POLBSCN9ANPC1CHEK2
SCHEMBL2543831 0.83 HDAC6 (0.50) KMT2AMEN1MAP4K4POLBSCN9A
SCHEMBL29383595 0.83 HDAC6 (0.50) KMT2AMEN1MAP4K4POLBSCN9A
SCHEMBL29961676 0.83 NPC1 (0.56) KMT2AMEN1MAP4K4SCN9AGRM2
SCHEMBL9081101 0.82 ADORA3 (0.43) KMT2AMAP4K4SCN9ASMN1; SMN2PIM1
SCHEMBL6650334 0.81 KMO (0.49) KMT2ANPC1PARP1MAP2K4
SCHEMBL6643741 0.81 KMT2A (0.50) KMT2AMEN1MAP4K4POLBNPC1
SCHEMBL3725622 0.80 SCN9A (0.55) KMT2AMAP4K4SCN9AIKBKBPARP1
SCHEMBL29961369 0.80 SCN9A (0.47) MAP4K4SCN9AGRM2XDHKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed