SCHEMBL4956887

SCHEMBL4956887

CCCCc1nc2ccccc2c(=O)n1-c1c(C)cc(N2CCOCC2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AHR P35869 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL4961765 0.89 LMNA (0.54) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4955931 0.89 ALDH1A1 (0.56) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4957364 0.88 LMNA (0.71) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4955926 0.82 MEN1 (0.55) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4958853 0.82 ALDH1A1 (0.56) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4960701 0.81 LMNA (0.61) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4961212 0.80 ALDH1A1 (0.52) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4959496 0.78 LMNA (0.73) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4958764 0.77 LMNA (0.71) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4957819 0.77 LMNA (0.71) LMNAMAPK1ALDH1A1CYP1A2CYP3A4

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