SCHEMBL7401212

SCHEMBL7401212

Cc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)On3nnc4ccccc43)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
PDE4D Q08499 6/20 0.54
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 4/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL7402674 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7396739 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7395686 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL1553532 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7398425 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7551863 0.80 HDAC3 (0.47) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL7399456 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL1553512 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DHDAC1
Hydrochloric Acid SCHEMBL8602395 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8602390 0.77 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed