SCHEMBL4959092

SCHEMBL4959092

Cc1nc2ccccc2c(=O)n1-c1cccc(N)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.73
SMN1; SMN2 Q16637 2/20 0.70
POLB P06746 2/20 0.67
ALOX12 P18054 1/20 0.61
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL1962312 0.86 HSD17B10 (0.77) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL30122631 0.85 MAPK1 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL1682746 0.85 MAPK1 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL29154650 0.84 HSD17B10 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL29154635 0.84 HSD17B10 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL30726096 0.84 HSD17B10 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL30726098 0.84 HSD17B10 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL30726097 0.84 HSD17B10 (0.75) HSD17B10SMN1; SMN2POLBALOX12ALOX15
SCHEMBL4958753 0.84 MAPK1 (0.70) HSD17B10SMN1; SMN2POLBALOX12MAPK1
SCHEMBL29839760 0.83 HSD17B10 (0.73) HSD17B10SMN1; SMN2POLBALOX12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO claimed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed