SCHEMBL7465479

SCHEMBL7465479

CCOCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.76
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
BRD2 P25440 2/20 0.63
BRD3 Q15059 2/20 0.63
BRDT Q58F21 2/20 0.63
PDE4A P27815 2/20 0.52
ADORA2A P29274 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL19090444 0.87 BRD4 (1.00) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7454403 0.85 PDE4A (0.61) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL556233 0.85 BRD4 (0.82) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL6661580 0.82 BRD4 (0.51) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL554932 0.82 BRD4 (0.81) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL555712 0.81 BRD4 (0.71) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL9351810 0.80 BRD4 (0.74) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7607643 0.80 PDE4A (0.74) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL6665240 0.80 BRD4 (0.48) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7464093 0.79 MAPK1 (0.57) BRD4MEN1KMT2ABRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 EP disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
EP-0528164-B1 Use of xanthine derivatives for the manufacture of a medicament for the treatment of secondary nerve cell damages and function disorders after head-brain-traumata HOECHST AG (DE) 1996-05-29 EP disclosed
US-5409935-A Inhibit formation of free radicals HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0528164-A2 Use of xanthine derivatives for the manufacture of a medicament for the treatment of secondary nerve cell damages and function disorders after head-brain-traumata HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-24 EP disclosed