SCHEMBL3963573

SCHEMBL3963573

CCCNc1nc2ccccn2c(=O)c1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
TSHR P16473 1/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL4172559 0.89 ALDH1A1 (0.44) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3961647 0.87 GFER (0.44) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3955085 0.87 GFER (0.49) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3958607 0.87 GFER (0.45) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3960282 0.86 GFER (0.47) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3961800 0.86 AGTR1 (0.43) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3955167 0.85 GFER (0.44) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3959499 0.83 GFER (0.51) GFERALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL3961642 0.83 GFER (0.45) GFERALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3953208 0.83 GFER (0.47) GFERALDH1A1L3MBTL1MEN1KMT2A

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-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