SCHEMBL8321734

SCHEMBL8321734

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c3c(sc12)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.55
PDE4A P27815 18/20 0.52
PDE4B Q07343 18/20 0.52
PDE4C Q08493 18/20 0.52
GFER P55789 1/20 0.49
PDE11A Q9HCR9 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
SCHEMBL8262616 0.87 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL84494 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGFER
Hydrochloric Acid SCHEMBL72328 0.86 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL73785 0.84 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8323865 0.82 KCNMA1 (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL84964 0.81 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL73163 0.81 MKNK1 (0.46) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL5619716 0.79 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8325303 0.79 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CGFER
SCHEMBL8318201 0.78 MAPT (0.41)

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed