SCHEMBL8777032

SCHEMBL8777032

CCOc1ccc(CC(c2ncc[nH]2)N2C(=O)c3ccccc3C2=O)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
PDE4A P27815 9/20 0.45
PDE4B Q07343 9/20 0.45
PDE4C Q08493 9/20 0.45
PDE4D Q08499 9/20 0.45
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8777043 0.81 TNF (0.58) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6281501 0.79 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6287394 0.79 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL4858305 0.79 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6286847 0.74 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL4857889 0.74 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6283989 0.74 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8777023 0.73 TNF (0.56) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL4864210 0.72 TNF (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6280398 0.72 TNF (0.76) TNFPDE4APDE4BPDE4CPDE4D

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-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO disclosed