SCHEMBL6661580

SCHEMBL6661580

CCOCn1cnc2c1c(=O)[nH]c(=O)n2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PDE4A P27815 3/20 0.44
ADORA2A P29274 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42

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
SCHEMBL7465479 0.82 BRD4 (0.76) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL6665240 0.81 BRD4 (0.48) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL7459635 0.80 BRD4 (0.62) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL7464093 0.80 MAPK1 (0.57) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL7454403 0.79 PDE4A (0.61) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL6665236 0.75 KMT2A (0.51) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL6659535 0.72 LMNA (0.47) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL6665174 0.72 KMT2A (0.46) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL27504906 0.70 LMNA (0.76) BRD4KDM4ELMNAPOLBMAPK1
SCHEMBL6661011 0.70 POLB (0.50) KDM4ELMNAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257552-B1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA SA (FR) 2004-08-18 EP disclosed
EP-1257552-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS Aventis Pharma S.A. (FR) 2002-11-20 EP disclosed
WO-2001060824-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2001-08-23 WO disclosed