SCHEMBL17844615

SCHEMBL17844615

CC(C)(C)CNC(=O)c1ccc(C2CC2)[nH]c1=O.O=C(O)c1ccc(C2CC2)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.42
CNR2 P34972 2/20 0.38
HSD17B2 P37059 12/20 0.35
HSD17B1 P14061 5/20 0.35
KDM4E B2RXH2 3/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17844663 0.81 KDM4E (0.47) KDM4EKDM5AKDM5BALDH1A1HPGD
SCHEMBL25148777 0.77 KDM4E (0.41) KDM4EKDM5AKDM5BALDH1A1HPGD
SCHEMBL11833334 0.74 KDM5A (0.47) KDM4EKDM5AKDM5BALDH1A1HPGD
SCHEMBL25148750 0.74 KDM4E (0.39) HSD17B2HSD17B1KDM4EKDM5AKDM5B
SCHEMBL25148778 0.74 KDM4E (0.39) HSD17B2HSD17B1KDM4EKDM5AKDM5B
SCHEMBL25148783 0.74 KDM4E (0.39) HSD17B2HSD17B1KDM4EKDM5AKDM5B
SCHEMBL25148754 0.72 KDM4E (0.40) KDM4EKDM5AKDM5BALDH1A1HPGD
SCHEMBL16794594 0.72 KDM5A (0.36) KDM4EKDM5AKDM5BALDH1A1GAA
SCHEMBL4640241 0.71 CYP1A2 (0.50) CNR2KDM4EALDH1A1HPGDGAA
SCHEMBL26550947 0.67 DRD2 (0.40) KDM4EALDH1A1

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-2016096942-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed