SCHEMBL4720663

SCHEMBL4720663

COc1cc(C)cc(-c2nn(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 6/20 0.33
ALDH1A1 P00352 2/20 0.33
PSD A5PKW4 1/20 0.32
SNCA P37840 1/20 0.32
BTK Q06187 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
WDR5 P61964 1/20 0.31
GRM7 Q14831 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL4722014 0.86 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4720784 0.86 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4720223 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14101906 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL14101702 0.84 F10 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4721150 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4719764 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4723635 0.80 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4723271 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGRM7
SCHEMBL4719190 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT

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