SCHEMBL3260692

SCHEMBL3260692

COc1ccc(-c2cnc(=O)n(Cc3csc4ccccc34)c2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.48
PDE4D Q08499 11/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
KCNH2 Q12809 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GAK O14976 1/20 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
SCHEMBL3236257 0.84 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL3260690 0.82 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3239951 0.82 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3234862 0.82 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3232558 0.80 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3236855 0.80 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL3263130 0.78 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL2371367 0.78 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL3235989 0.78 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CGAK
SCHEMBL3236840 0.77 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C

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-2010029299-A1 PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2010-03-18 WO disclosed