SCHEMBL2913687

SCHEMBL2913687

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.76
PDE4A P27815 11/20 0.64
PDE4B Q07343 11/20 0.64
PDE4C Q08493 11/20 0.64
CYP2B6 P20813 1/20 0.62
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.48
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE11A Q9HCR9 1/20 0.47

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
SCHEMBL15270505 0.87 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7357641 0.86 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7137903 0.83 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7353637 0.81 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL30614194 0.80 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL2908650 0.80 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL6874729 0.80 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL30084831 0.80 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7371319 0.80 PDE4D (0.80) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL985307 0.79 PDE4B (0.82) PDE4DPDE4APDE4BPDE4CCYP2B6

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-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed