SCHEMBL9726994

SCHEMBL9726994

CN1CCc2c1n(-c1ccccc1)c1ncccc1c2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
FEN1 P39748 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.41
LDHA P00338 1/20 0.40
MAPK8 P45983 2/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
REN P00797 2/20 0.38
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
LOXL3 P58215 1/20 0.37

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
SCHEMBL9727141 0.87 MAPT (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9727191 0.84 PDE4B (0.41) PDE4BPDE4DCYP1A2
SCHEMBL9132364 0.76 FEN1 (0.50) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9130384 0.73 FEN1 (0.47) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL10377175 0.73 FEN1 (0.47) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9352322 0.73 FEN1 (0.47) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9131042 0.72 PTGDR2 (0.46) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9628997 0.72 FEN1 (0.45) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9131517 0.72 FEN1 (0.45) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL10377453 0.71 FEN1 (0.43) PDE4APDE4BPDE4CPDE4DFEN1

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
US-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 US claimed