SCHEMBL236692

SCHEMBL236692

OCCCCNc1ncnc2ccsc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.56
▸ PDE4B Q07343 1/20 0.56
▸ PDE4C Q08493 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ AURKB Q96GD4 11/20 0.46
▸ AURKA O14965 9/20 0.46
▸ FADS1 O60427 1/20 0.46
▸ CDK8 P49336 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ ACOX3 O15254 1/20 0.44
▸ MAPK13 O15264 1/20 0.44

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
SCHEMBL5368863 0.85 S1PR2 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500728 0.81 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12609107 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13689922 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL234528 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL18733505 0.76 AURKB (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500685 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16500679 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2876445 0.73 AURKB (0.58) PDE4APDE4BPDE4CPDE4DPDE3B

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-2400961-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 — — EP claimed
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