SCHEMBL3661482

SCHEMBL3661482

N=C(CCC(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
BLM P54132 2/20 0.48
RECQL P46063 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 2/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F12 P00748 1/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 2/20 0.45
PRSS1 P07477 2/20 0.45

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
SCHEMBL660788 0.78 NR4A2 (0.68) L3MBTL1MAPTTDP1BLMRECQL
SCHEMBL26463548 0.75 MAOA (0.48) L3MBTL1MAPTTDP1BLMRECQL
SCHEMBL10048780 0.75 HDAC3 (0.57) L3MBTL1MAPTTDP1CYP3A4CYP2C19
SCHEMBL31374745 0.75 F2 (0.46) L3MBTL1MAPTTDP1BLMRECQL
Succinamide SCHEMBL27765028 0.73 MAPT (0.44) L3MBTL1MAPTTDP1BLMRECQL
SCHEMBL1478436 0.72 TDP1 (0.72) L3MBTL1MAPTTDP1CYP3A4CYP2C19
SCHEMBL6156726 0.72 TDP1 (0.79) L3MBTL1MAPTTDP1CYP3A4CYP2C19
SCHEMBL6923108 0.72 GAA (0.50) L3MBTL1MAPTTDP1BLMRECQL
Succinamide SCHEMBL28421812 0.72 ALDH1A1 (0.50) L3MBTL1MAPTTDP1BLMRECQL
SCHEMBL13317140 0.71 CES2 (0.52) L3MBTL1BLMRECQLF2F10

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
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO disclosed