SCHEMBL3961647

SCHEMBL3961647

CCCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SPR P35270 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNK3 O14649 6/20 0.38
KCNK9 Q9NPC2 6/20 0.38
JUN P05412 2/20 0.37
CDK2 P24941 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 1/20 0.37
RXFP1 Q9HBX9 3/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3961800 0.95 AGTR1 (0.43) GFERALDH1A1L3MBTL1SPRMEN1
SCHEMBL3958607 0.93 GFER (0.45) GFERALDH1A1L3MBTL1SPRMEN1
SCHEMBL3953208 0.92 GFER (0.47) GFERALDH1A1L3MBTL1SPRMEN1
SCHEMBL3961045 0.90 GFER (0.49) GFERKMT2AKCNK3KCNK9RXFP1
SCHEMBL3963579 0.90 AGTR1 (0.44) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5129445 0.89 ALDH1A1 (0.43) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5129442 0.89 ALDH1A1 (0.43) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3963573 0.87 GFER (0.43) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3960282 0.87 GFER (0.47) GFERALDH1A1L3MBTL1SPRMEN1
SCHEMBL3958495 0.86 AGTR1 (0.40) GFERALDH1A1L3MBTL1SPRMEN1

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