SCHEMBL4722266

SCHEMBL4722266

COc1cc(OC)cc(-c2nn(-c3cc(NCCC(N)=O)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.34
SCD O00767 4/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
F10 P00742 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4765721 0.96 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722253 0.95 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4724138 0.93 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722572 0.93 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4723445 0.93 SMN1; SMN2 (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4719755 0.91 MAPT (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4721347 0.91 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL14101915 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722089 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4719449 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed