SCHEMBL8487407

SCHEMBL8487407

Nc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
POLB P06746 2/20 0.58
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK8 P45983 1/20 0.56
HPGD P15428 3/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL5370365 0.91 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5365073 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5358848 0.88 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5361540 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5362716 0.87 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5362615 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPOLB
Bicarbonate SCHEMBL6172538 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6433473 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL920657 0.86 POLB (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6804123 0.86 HPGD (0.46) PDE4APDE4BPDE4CPDE4DPOLB

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
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed