SCHEMBL3279591

SCHEMBL3279591

Cc1cn(C(c2ccccc2)c2ccc3nnn(O)c3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.40
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
TBXAS1 P24557 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 1/20 0.32
APAF1 O14727 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32

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
Oxalic Acid SCHEMBL9525556 0.85 CYP19A1 (0.46) CYP19A1MAPK1CYP11B1FAAHMGLL
SCHEMBL3285588 0.79 CYP19A1 (0.42) CYP19A1POLBMAPK1ATMCYP11B1
SCHEMBL3286213 0.79 POLB (0.40) CYP19A1POLBMAPK1ATMCYP11B1
SCHEMBL3279238 0.78 CYP19A1 (0.60) CYP19A1MAPK1CYP11B1ALDH1A1MAOA
SCHEMBL9523474 0.75 TBXAS1 (0.33) CYP19A1MAPK1CYP11B1ALDH1A1MAOA
SCHEMBL3278049 0.74 CYP19A1 (0.65) CYP19A1POLBMAPK1ATMCYP11B1
SCHEMBL9523778 0.72 POLB (0.53) CYP19A1POLBMAPK1ATMALDH1A1
Hydrochloric Acid SCHEMBL9065160 0.72 CYP19A1 (0.48) CYP19A1MAPK1CYP11B1ALDH1A1MAOA
SCHEMBL3279898 0.68 CYP19A1 (0.60) CYP19A1MAPK1CYP11B1ALDH1A1MAOA
Oxalic Acid SCHEMBL10459052 0.68 MEN1 (0.45) MAPK1ALDH1A1MEN1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
EP-1092762-B1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems BAYER CHEMICALS AG (DE) 2004-12-08 EP claimed
US-6380142-B1 FOR USE IN ENZYMATIC TWO-COMPONENT BLEACHING SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US claimed
EP-1092762-A1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems Bayer Aktiengesellschaft (DE) 2001-04-18 EP claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US disclosed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 EP disclosed