SCHEMBL4956958

SCHEMBL4956958

CCCCc1nc2ccccc2c(=O)n1-c1ccc(NC(N)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.72
MAPK1 P28482 1/20 0.72
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
BLM P54132 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
ATM Q13315 1/20 0.52
PDE10A Q9Y233 7/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50

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
SCHEMBL4957073 0.92 LMNA (0.77) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4955797 0.92 LMNA (0.72) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4955792 0.87 MEN1 (0.69) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4956845 0.86 LMNA (0.77) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4960332 0.85 LMNA (0.76) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14115046 0.85 LMNA (0.66) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4957089 0.84 LMNA (1.00) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4960948 0.84 MAPK1 (0.62) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4959079 0.83 MAPK1 (0.80) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4958923 0.83 LMNA (0.80) LMNAMAPK1ALDH1A1MEN1KMT2A

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