SCHEMBL7051890

SCHEMBL7051890

CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(C)cc(F)c21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.62
PDE4B Q07343 8/20 0.62
PDE4C Q08493 8/20 0.62
PDE4D Q08499 8/20 0.62
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7055496 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7051886 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL7056139 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7055488 0.83 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL7051870 0.82 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7053592 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7056147 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7053642 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7055652 0.77 ALDH1A1 (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6546036 0.77 KMT2A (0.71) 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 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