SCHEMBL7052437

SCHEMBL7052437

CCn1cc(C(=O)NCCc2ccccc2OC)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.74
PDE4B Q07343 8/20 0.74
PDE4C Q08493 8/20 0.74
PDE4D Q08499 8/20 0.74
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 2/20 0.51
PDE10A Q9Y233 1/20 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
SCHEMBL7051840 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7050606 0.86 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7051831 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7051824 0.84 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7056993 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7054219 0.81 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7050614 0.81 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7056840 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7051848 0.80 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7051846 0.79 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed
EP-0841929-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004779-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed