SCHEMBL5546883

SCHEMBL5546883

CCOc1ccccc1C(=O)NC1=NCC2=CN(C(=O)CCC(C)=O)CCC2=N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
HCRTR1 O43613 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5545010 0.81 MAPT (0.44) KDM4EMAPTMAPK1GAAALOX15
SCHEMBL5540338 0.80 MEN1 (0.40) KDM4EMAPTMAPK1GAAALOX15
SCHEMBL5545032 0.75 PTGES (0.39) GAALMNATP53KCNK3KCNK9
SCHEMBL3530466 0.66 ENPP2 (0.46) KDM4EMAPTLMNATP53
SCHEMBL5538007 0.64 PTGES (0.39) GAALMNATP53HCRTR1RXFP1
SCHEMBL5546600 0.62 KMT2A (0.40) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL5504642 0.61 MEN1 (0.83) KDM4EMAPTMAPK1GAAMEN1
SCHEMBL328592 0.61 GAA (0.74) KDM4EMAPTMAPK1GAAALOX15
SCHEMBL15323115 0.60 GAA (0.78) KDM4EMAPTMAPK1GAAALOX15
SCHEMBL7959716 0.60 HCRTR1 (0.73) KDM4EMAPTMAPK1GAAALOX15

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
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed