SCHEMBL4956972

SCHEMBL4956972

CCCCc1nc2ccccc2c(=O)n1-c1ccc(NC2CCN(C(=O)O)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CHEK1 O14757 3/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PDE10A Q9Y233 4/20 0.44
HTR7 P34969 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4958473 0.95 LMNA (0.58) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4956966 0.95 LMNA (0.58) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4960314 0.93 LMNA (0.64) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4959084 0.89 MAPK1 (0.54) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4962845 0.89 MAPK1 (0.54) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14115113 0.89 MAPK1 (0.54) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4957279 0.85 LMNA (0.52) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14115108 0.85 LMNA (0.52) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4959479 0.84 LMNA (0.58) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4960632 0.82 LMNA (0.60) 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 2 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