SCHEMBL4960778

SCHEMBL4960778

CCCCc1nc2ccccc2c(=O)n1-c1c(C)c(C)c(N)c(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
ATM Q13315 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
TSHR P16473 1/20 0.56
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2D6 P10635 1/20 0.49
PARP1 P09874 1/20 0.48

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
SCHEMBL4958923 0.81 LMNA (0.80) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4959071 0.81 ALDH1A1 (0.76) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4960701 0.80 LMNA (0.61) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4958839 0.78 ALDH1A1 (0.65) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4954037 0.78 ALDH1A1 (0.71) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4960645 0.78 LMNA (0.67) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4958469 0.77 LMNA (0.74) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4957056 0.77 LMNA (0.60) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL4958293 0.77 LMNA (0.69) LMNAALDH1A1MAPK1SMN1; SMN2ATM
SCHEMBL5928664 0.77 SMN1; SMN2 (0.92) LMNAALDH1A1MAPK1SMN1; SMN2ATM

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