SCHEMBL5583588

SCHEMBL5583588

COc1ccnc(C(=O)NC2CC2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
PDE4B Q07343 6/20 0.45
PDE4D Q08499 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
CHRM4 P08173 1/20 0.44
KDR P35968 4/20 0.43
AURKA O14965 3/20 0.43
MET P08581 3/20 0.43
TEK Q02763 3/20 0.43
AURKB Q96GD4 2/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
FGR P09769 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5583757 0.95 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2PDE4BPDE4D
SCHEMBL5583651 0.95 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2PDE4BPDE4D
SCHEMBL5583701 0.94 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2KDRAURKA
SCHEMBL5583854 0.94 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KDRAURKA
SCHEMBL5583725 0.93 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL5583707 0.93 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL15480783 0.93 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL5583720 0.93 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL5583860 0.93 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL14284430 0.86 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2PDE4BPDE4D

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
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed