SCHEMBL3958531

SCHEMBL3958531

CCCCc1nc2ccccn2c(=O)c1-c1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC27A1 Q6PCB7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
ME2 P23368 4/20 0.37
ME1 P48163 4/20 0.37
ME3 Q16798 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 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
SCHEMBL5132617 0.88 CKS1B (0.47) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL5128354 0.86 MAPT (0.43) MAPTAGTR1AGTR2SLC27A1ALDH1A1
Hydrochloric Acid SCHEMBL5122602 0.86 MAPT (0.42) MAPTAGTR1AGTR2SLC27A1ALDH1A1
SCHEMBL3965077 0.82 SYK (0.40) MAPTAGTR1AGTR2MEN1KMT2A
SCHEMBL3963579 0.80 AGTR1 (0.44) MAPTAGTR1AGTR2MEN1KMT2A
SCHEMBL3955412 0.78 MAPT (0.49) MAPTAGTR1AGTR2ALDH1A1KDM4E
SCHEMBL3961800 0.77 AGTR1 (0.43) MAPTAGTR1AGTR2MEN1KMT2A
SCHEMBL3961045 0.76 GFER (0.49) MAPTAGTR1AGTR2KMT2ANPC1
SCHEMBL3953186 0.76 MAPT (0.59) MAPTAGTR1AGTR2ALDH1A1KDM4E
SCHEMBL3957534 0.75 MAPT (0.54) MAPTAGTR1AGTR2KMT2AKDM4E

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