SCHEMBL6553244

SCHEMBL6553244

CCOc1cc(C(CC#N)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.73
PDE4B Q07343 17/20 0.73
PDE4C Q08493 17/20 0.73
PDE4D Q08499 17/20 0.73
TNF P01375 2/20 0.64
HTR2B P41595 1/20 0.51

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
SCHEMBL2461834 0.88 TNF (0.59) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7433881 0.87 TNF (0.68) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6555476 0.86 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL23000632 0.86 TNF (0.75) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL29651471 0.86 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098123 0.86 TNF (0.75) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL23000615 0.86 TNF (0.75) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1193538 0.86 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL15198844 0.86 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7741608 0.85 TNF (0.88) PDE4APDE4BPDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851857-B1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORP (US) 2004-02-18 EP disclosed
EP-1367051-A2 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 2003-12-03 EP disclosed
EP-0957091-B1 Inhibitors of tumor necrosis factor alpha CELGENE CORP (US) 2003-06-04 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
EP-0957091-A1 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 1999-11-17 EP disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed