SCHEMBL536441

SCHEMBL536441

CC(=O)CC(=O)CNCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL11306807 0.98 PAOX (0.42) PAOXMAOAMAOBCA12CA6
SCHEMBL11648889 0.85 KDM4E (0.44) PAOXKDM4EKDM6BKDM5CEGLN1
SCHEMBL8852086 0.83
SCHEMBL5157880 0.79 CA12 (0.52) PAOXMAOAMAOBCA12CA6
SCHEMBL9827229 0.78 ALDH1A1 (0.48) PAOXALDH1A1GAA
SCHEMBL28968431 0.78 CA12 (0.58) PAOXCA12CA6CA7CA9
Acetone SCHEMBL27949420 0.75 CA12 (0.62) PAOXCA12CA6CA7CA9
SCHEMBL15259114 0.74
SCHEMBL12809352 0.74
Ethylenediamine SCHEMBL9442435 0.73 KDM4E (0.42) PAOXKDM4EKDM6BKDM5CEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP disclosed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
EP-2779830-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS Deutschland GmbH (DE) 2014-09-24 EP disclosed
WO-2013072427-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2013-05-23 WO disclosed
EP-2594132-A1 Stabilisation of iodine containing compounds with polymers containing nitrogen Lanxess Deutschland GmbH (DE) 2013-05-22 EP disclosed
EP-2449016-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-05-09 EP disclosed
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
EP-2440044-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
EP-2413697-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS Deutschland GmbH (DE) 2012-02-08 EP disclosed
WO-2011000794-A1 POLYMERS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS AND IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2011-01-06 WO disclosed
EP-2270087-A1 Heterocyclic 3-ring connections and polymers containing iodine compounds LANXESS Deutschland GmbH (DE) 2011-01-05 EP disclosed
WO-2010142795-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
WO-2010112387-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2010-10-07 WO disclosed
EP-2236033-A1 Stabilisation of compounds containing iodine LANXESS Deutschland GmbH (DE) 2010-10-06 EP disclosed
EP-1993362-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS Lanxess Deutschland GmbH & Co.KG (DE) 2008-11-26 EP disclosed
WO-2007101549-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed