SCHEMBL4960073

SCHEMBL4960073

CCCCc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
PDE10A Q9Y233 6/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
ADORA3 P0DMS8 3/20 0.47
TLR7 Q9NYK1 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TLR8 Q9NR97 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4956000 0.91 LMNA (0.57) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL4963820 0.89 LMNA (0.57) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL4958449 0.84 LMNA (0.65) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL4958923 0.83 LMNA (0.80) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL4958242 0.81 LMNA (0.80) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL14115102 0.81 LMNA (0.58) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL4958469 0.80 LMNA (0.74) LMNAMAPK1PDE10AMEN1KMT2A
SCHEMBL4959299 0.78 LMNA (0.63) LMNAMAPK1MEN1KMT2AESR1
SCHEMBL28931553 0.77 SMN1; SMN2 (0.68) LMNAMEN1KMT2AADORA3TLR7
SCHEMBL4957091 0.77 LMNA (0.53) LMNAMAPK1MEN1KMT2AESR1

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