SCHEMBL4957819

SCHEMBL4957819

CCCCc1nc2ccccc2c(=O)n1-c1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 1/20 0.58
CHEK1 O14757 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTR7 P34969 11/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
PDE10A Q9Y233 2/20 0.51

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
SCHEMBL4958764 0.88 LMNA (0.71) LMNAMAPK1ALDH1A1CHEK1MEN1
SCHEMBL4957582 0.88 LMNA (0.62) LMNAMAPK1ALDH1A1CHEK1MEN1
SCHEMBL4959496 0.87 LMNA (0.73) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4957364 0.86 LMNA (0.71) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14115519 0.85 LMNA (0.70) LMNAMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4955827 0.84 LMNA (0.69) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4960314 0.83 LMNA (0.64) LMNAMAPK1ALDH1A1CHEK1MEN1
SCHEMBL4957089 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4959079 0.82 MAPK1 (0.80) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4956972 0.82 LMNA (0.60) LMNAMAPK1ALDH1A1CHEK1MEN1

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 1 patent. 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 disclosed