SCHEMBL7741966

SCHEMBL7741966

CCOc1ccc(C(Cc2ncc[nH]2)N2Cc3ccccc3C2=O)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TNF P01375 1/20 0.45
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
MAPT P10636 1/20 0.40

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
SCHEMBL6286833 1.00 TP53 (0.51) TP53MEN1KMT2ATNFPDE4A
SCHEMBL6281609 1.00 TP53 (0.51) TP53MEN1KMT2ATNFPDE4A
SCHEMBL4858305 0.84 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6287394 0.84 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6281501 0.84 TNF (0.60) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL4856275 0.84 TP53 (0.60) TP53MEN1KMT2ATNFPDE4A
SCHEMBL6289218 0.84 TP53 (0.60) TP53MEN1KMT2ATNFPDE4A
SCHEMBL6287582 0.84 TP53 (0.60) TP53MEN1KMT2ATNFPDE4A
SCHEMBL4857855 0.83 TP53 (0.56) TP53MEN1KMT2ATNFPDE4A
SCHEMBL6286610 0.83 TP53 (0.56) TP53MEN1KMT2ATNFPDE4A

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
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US claimed