SCHEMBL4959093

SCHEMBL4959093

CCCCc1nc2ccccc2c(=O)n1-c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 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
SCHEMBL4958445 0.84 LMNA (0.60) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4957147 0.82 ALDH1A1 (0.60) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4958923 0.81 LMNA (0.80) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4960645 0.81 LMNA (0.67) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL14115095 0.79 LMNA (0.55) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4958462 0.79 LMNA (0.80) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4958469 0.78 LMNA (0.74) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4957089 0.78 LMNA (1.00) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4961212 0.78 ALDH1A1 (0.52) LMNAMAPK1ALDH1A1USP2MEN1
SCHEMBL4959650 0.78 ALDH1A1 (0.60) LMNAMAPK1ALDH1A1USP2MEN1

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