SCHEMBL7053635

SCHEMBL7053635

CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.68
PDE4B Q07343 8/20 0.68
PDE4C Q08493 8/20 0.68
PDE4D Q08499 8/20 0.68
SORT1 Q99523 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 1/20 0.57
PDE10A Q9Y233 1/20 0.57
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL7051841 0.91 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DSORT1
Hydrochloric Acid SCHEMBL7058569 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7053073 0.89 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7051846 0.88 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7058531 0.82 ALDH1A1 (0.66) PDE4APDE4BPDE4CPDE4DSORT1
Hydrochloric Acid SCHEMBL7055242 0.81 ALDH1A1 (0.65) PDE4APDE4BPDE4CPDE4DSORT1
SCHEMBL7056153 0.81 ALDH1A1 (0.56) SORT1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7056840 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7051831 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7054219 0.79 PDE4A (0.89) 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 3 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