SCHEMBL4720073

SCHEMBL4720073

COc1cc(OC)cc(-c2nn(-c3cc(NC(C)CO)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 3/20 0.32
F10 P00742 2/20 0.32
TSHR P16473 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CNR1 P21554 1/20 0.31
SRC P12931 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL4722944 0.92 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4720857 0.88 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722089 0.87 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4720922 0.86 F10 (0.39) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4720514 0.86 SMN1; SMN2 (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4719833 0.86 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4720454 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4722084 0.85 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4724043 0.85 F10 (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4721102 0.85 PDE4A (0.37) 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