SCHEMBL4599564

SCHEMBL4599564

O=C1C(=O)c2ccccc2C=C1CC1=Cc2ccccc2C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.50
CDC25A P30304 1/20 0.50
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 4/20 0.44
CES1 P23141 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PTPRC P08575 3/20 0.44
LMNA P02545 2/20 0.44
BCHE P06276 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
APAF1 O14727 2/20 0.44
TDP2 O95551 2/20 0.44
CES2 O00748 1/20 0.44
TERT O14746 1/20 0.44
NPC1 O15118 1/20 0.44
PLIN1 O60240 1/20 0.44

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
SCHEMBL27936013 0.88 PTPN1 (0.56) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL27942009 0.83 CDC25B (0.52) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL27942011 0.80 CDC25B (0.49) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL31121517 0.80 CDC25B (0.44) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL27570691 0.78 ALDH1A1 (0.49) CDC25BCDC25AMAPK1PTPRCS100A4
SCHEMBL27942033 0.77 PTPN1 (0.51) CDC25BCDC25AMAPTAPAF1NPC1
SCHEMBL8018135 0.77 CDC25B (0.44) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL4278290 0.76 CDC25B (0.41) CDC25BCDC25AMEN1KMT2AMAPT
SCHEMBL27953080 0.76 PTPN1 (0.58) CDC25BCDC25APTPN1ACHE
SCHEMBL28308758 0.75 PTPN1 (0.60) CDC25BCDC25ACES1PTPN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758864-B1 Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2013-04-10 EP disclosed
EP-1841731-B1 SUBSTITUTED AMINOMETHYLENE SULPHONAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI SA (FR) 2012-08-22 EP disclosed
EP-1802578-B1 3,6-SUBSTITUTED 5-ARYLAMINO-1H-PYIDINE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS IN THE TREATMENT OF TISSUE DAMAGE OR DISEASE CAUSED BY NECROSIS OR APOPTOSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-23 EP disclosed
EP-1841731-A1 SUBSTITUTED AMINOMETHYLENE SULPHONAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis (FR) 2007-10-10 EP disclosed
WO-2006074957-A9 SUBSTITUTED AMINOMETHYLENE SULPHONAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-12 WO disclosed
EP-1802578-A1 3,6-SUBSTITUTED 5-ARYLAMINO-1H-PYIDINE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS IN THE TREATMENT OF TISSUE DAMAGE OR DISEASE CAUSED BY NECROSIS OR APOPTOSIS Sanofi-Aventis Deutschland GmbH (DE) 2007-07-04 EP disclosed
EP-1758864-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-07 EP disclosed
WO-2006074957-A1 SUBSTITUTED AMINOMETHYLENE SULPHONAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (DE) 2006-07-20 WO disclosed
WO-2006042638-A1 3,6-SUBSTITUTED 5-ARYLAMINO-1H-PYIDINE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS IN THE TREATMENT OF TISSUE DAMAGE OR DISEASE CAUSED BY NECROSIS OR APOPTOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-04-27 WO disclosed
WO-2005123687-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-29 WO disclosed