SCHEMBL5583606

SCHEMBL5583606

COc1ccnc(C(=O)NC2CCc3ccccc32)c1O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
TAS1R3 Q7RTX0 5/20 0.59
TAS1R1 Q7RTX1 5/20 0.59
ADORA2A P29274 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
ROCK2 O75116 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HPGDS O60760 1/20 0.51
TAS1R2 Q8TE23 2/20 0.50
PDE10A Q9Y233 2/20 0.48

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
SCHEMBL14284441 0.86 NPC1 (0.54) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL14284448 0.79 HCRTR1 (0.41) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL14284440 0.78 TAS1R3 (0.40) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL14284407 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ADORA2AKMT2AMEN1
SCHEMBL5583588 0.78 TAS1R3 (0.53) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL5583854 0.76 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2
SCHEMBL5583701 0.76 ALDH1A1 (0.50) TAS1R3TAS1R1KMT2AMEN1TAS1R2
SCHEMBL5583860 0.75 ALDH1A1 (0.52) TAS1R3TAS1R1KMT2AMEN1TAS1R2
SCHEMBL5583725 0.75 ALDH1A1 (0.52) TAS1R3TAS1R1KMT2AMEN1TAS1R2
SCHEMBL5583720 0.75 ALDH1A1 (0.52) TAS1R3TAS1R1KMT2AMEN1TAS1R2

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