SCHEMBL7051846

SCHEMBL7051846

CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.81
PDE4B Q07343 8/20 0.81
PDE4C Q08493 8/20 0.81
PDE4D Q08499 8/20 0.81
LMNA P02545 2/20 0.65
ATM Q13315 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ELANE P08246 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE10A Q9Y233 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL7053073 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7051831 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7053635 0.88 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7054219 0.88 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7051848 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7058531 0.85 ALDH1A1 (0.66) PDE4APDE4BPDE4CPDE4DMEN1
Hydrochloric Acid SCHEMBL7055242 0.84 ALDH1A1 (0.65) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051841 0.81 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051840 0.81 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7056993 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMEN1

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