SCHEMBL7051834

SCHEMBL7051834

CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(C(F)(F)F)c21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.65
PDE4B Q07343 5/20 0.65
PDE4C Q08493 5/20 0.65
PDE4D Q08499 5/20 0.65
CNR2 P34972 2/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.46
S1PR1 P21453 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7054222 0.94 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7055640 0.91 LMNA (0.58) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7058521 0.89 CNR2 (0.54) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7051878 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7057001 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7056215 0.86 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7057844 0.85 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7050618 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7050610 0.85 TP53 (0.56) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7055521 0.82 PDE4A (0.53) 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 1 patent. 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