SCHEMBL2567583

SCHEMBL2567583

O=C(O)Oc1ccc(Br)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GSK3B P49841 2/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ESR1 P03372 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.30
NCOA1 Q15788 1/20 0.30

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
SCHEMBL3962151 0.84 DAO (0.31) DAO
SCHEMBL9817948 0.81 CES2 (0.43) DAOCES2CES1GSK3BKMT2A
SCHEMBL10587351 0.78 CES2 (0.41) DAOCES2CES1GSK3BKMT2A
SCHEMBL20582495 0.78 CES2 (0.41) DAOCES2CES1GSK3BKMT2A
SCHEMBL28434997 0.75 ELANE (0.39) DAOCES2CES1GSK3BKMT2A
SCHEMBL486042 0.74 DAO (0.48) DAOGSK3BKMT2AALDH1A1HPGD
SCHEMBL5763046 0.74 DAO (0.48) DAO
SCHEMBL1937347 0.74 DAO (0.48) DAOKMT2AALDH1A1HPGDPOLB
SCHEMBL2568009 0.74 CUL4A (0.42) DAOCES2CES1GSK3BKMT2A
SCHEMBL9817941 0.71 NPC1 (0.41) DAOCES2CES1GSK3BALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP claimed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
EP-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed
EP-1411932-B1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER SCHERING PHARMA AG (DE) 2010-02-10 EP disclosed
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
EP-1937271-A1 MICROANGIOPATHY TREATMENT AND PREVENTION Bayer HealthCare AG (DE) 2008-07-02 EP disclosed
EP-1933841-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS Bayer HealthCare AG (DE) 2008-06-25 EP disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
EP-0676395-B1 Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells HOECHST AG (DE) 2003-09-03 EP disclosed
WO-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 WO disclosed
EP-1261606-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 EP disclosed
WO-2001047919-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 WO disclosed
EP-0676395-A2 Substituted N-heteroaroylguanidines, as inhibitors of sodium-hydrogen exchange, as antiarrhythmic agents and as inhibitors of the proliferation of cells HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP disclosed