SCHEMBL3960282

SCHEMBL3960282

Cc1nc2ccccn2c(=O)c1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
BRD4 O60885 1/20 0.40
SPR P35270 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL3961642 0.88 GFER (0.45) GFERALDH1A1L3MBTL1KCNK3KCNK9
SCHEMBL3959499 0.88 GFER (0.51) GFERKDM4EALDH1A1L3MBTL1KCNK3
SCHEMBL3958607 0.88 GFER (0.45) GFERKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5125838 0.88 ALDH1A1 (0.46) GFERMAPTALDH1A1L3MBTL1KCNK3
SCHEMBL5125842 0.88 ALDH1A1 (0.46) GFERMAPTALDH1A1L3MBTL1KCNK3
SCHEMBL3961647 0.87 GFER (0.44) GFERKDM4EMAPTALDH1A1HPGD
SCHEMBL3955085 0.87 GFER (0.49) GFERMAPTALDH1A1L3MBTL1KCNK3
SCHEMBL3957993 0.86 ALDH1A1 (0.45) GFERKDM4EMAPTPOLBALDH1A1
SCHEMBL3953208 0.86 GFER (0.47) GFERALDH1A1L3MBTL1KCNK3KCNK9
SCHEMBL3963573 0.86 GFER (0.43) GFERKDM4EALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP claimed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO claimed
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO disclosed