SCHEMBL13246719

SCHEMBL13246719

CC1=C(C(=O)c2ccc3ccccc3n2)C(=O)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.50
KDM4E B2RXH2 2/20 0.47
MGAM O43451 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B14 Q9BPX1 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL12052311 0.85 CNR2 (0.51) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL6068282 0.74 CNR2 (0.51) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL1343443 0.74 CNR2 (0.78) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL28234820 0.69 CNR2 (0.75) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL30227014 0.69 CNR2 (0.75) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL7832199 0.68 CNR2 (1.00) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL30227109 0.68 CNR2 (1.00) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL29484748 0.67 MGAM (0.68) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL29484746 0.67 MGAM (0.68) CNR2KDM4EMGAMHDAC8MAPT
SCHEMBL29540332 0.67 MGAM (0.68) CNR2KDM4EMGAMHDAC8MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
WO-2010089993-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES クミアイ化学工業株式会社 (JP) 2010-08-12 WO disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP disclosed