SCHEMBL416925

SCHEMBL416925

NCCNCCNCC[N+]1([O-])CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA6 P23280 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA5A P35218 2/20 0.38
CA1 P00915 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL414626 0.98 CA12 (0.36) CA12CA6CA7CA9CA14
SCHEMBL260097 0.79
SCHEMBL11594978 0.74
SCHEMBL11597304 0.72 CYP2C19 (0.35) MEN1KMT2A
SCHEMBL11594967 0.68
SCHEMBL3513744 0.68
SCHEMBL8512227 0.68 GNAI3 (0.32)
SCHEMBL9646467 0.68 HIF1A (0.32)
Piperazine SCHEMBL9063706 0.68 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL367450 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989170-B1 MULTILAYER STRUCTURE COMPRISING A LAYER OF SUPRAMOLECULAR MATERIAL AND METHOD FOR THE PRODUCTION THEREOF ARKEMA FRANCE (FR) 2019-05-22 EP claimed
US-10093767-B2 Multilayer structure comprising a layer of supramolecular material and method for the production thereof ARKEMA FRANCE (FR) 2018-10-09 US claimed
EP-2414427-B1 USE, AS A SHOCK ABSORBER, OF A MATERIAL FORMED FROM BRANCHED MOLECULES CONTAINING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2017-03-01 EP claimed
US-20160068626-A1 MULTILAYER STRUCTURE COMPRISING A LAYER OF SUPRAMOLECULAR MATERIAL AND METHOD FOR THE PRODUCTION THEREOF ARKEMA FRANCE (FR) 2016-03-10 US claimed
US-8975363-B2 Use, as a shock absorber, of a material formed from branched molecules containing associative groups ARKEMA FRANCE (FR) 2015-03-10 US claimed
US-8865806-B2 Molecules carrying associative groups and use thereof as plasticisers ARKEMA FRANCE (FR) 2014-10-21 US claimed
US-8828268-B2 Use of molecules having associative groups as hardeners for thermosetting resins ARKEMA FRANCE (FR) 2014-09-09 US claimed
EP-2483326-B1 COMPOSITION COMPRISING MIXED ELASTOMERS AND SUPRAMOLECULAR POLYMERS ARKEMA FRANCE (FR) 2014-01-22 EP claimed
US-20130274432-A1 Use of Molecules Having Associative Groups As Hardeners for Thermosetting Resins ARKEMA FRANCE (FR) 2013-10-17 US claimed
US-20130261255-A1 COMPOSITION INCLUDING A MIXTURE OF A THERMOPLASTIC CONDENSATION POLYMER AND A SUPRAMOLECULAR POLYMER, AND MANUFACTURING METHOD ARKEMA FRANCE (FR) 2013-10-03 US claimed
US-20130210972-A1 MOLECULES CARRYING ASSOCIATIVE GROUPS AND USE THEREOF AS PLASTICISERS ARKEMA FRANCE (FR) 2013-08-15 US claimed
US-20120220725-A1 COMPOSITION INCLUDING A MIXTURE OF ELASTOMER AND SUPRAMOLECULAR POLYMER ARKEMA FRANCE (FR) 2012-08-30 US claimed
US-20120022221-A1 Use, as a Shock Absorber, of a Material Formed from Branched Molecules Containing Associative Groups ARKEMA FRANCE 2012-01-26 US claimed
US-10093767-B2 Multilayer structure comprising a layer of supramolecular material and method for the production thereof ARKEMA FRANCE (FR) 2018-10-09 US disclosed
US-9605230-B2 Use of zeolites for stabilizing oils CECA S.A. (FR) 2017-03-28 US disclosed
US-9587202-B2 Process for reducing the total acidity of refrigerating compositions CECA S.A. (FR) 2017-03-07 US disclosed
US-20110259828-A1 Zeolite Adsorbent Having an Organic Binder CECA S.A. 2011-10-27 US disclosed
US-20110245421-A1 METHOD FOR INCREASING POLYMER COMPATIBILITY ARKEMA FRANCE 2011-10-06 US disclosed
US-20110183098-A1 NOVEL ELASTOMER MATERIAL, AND METHOD FOR OBTAINING SAME ARKEMA FRANCE (FR) 2011-07-28 US disclosed
US-20110166293-A1 COMPOSITION CONTAINING (METH)ACRYLIC POLYMER AND COPOLYMER HAVING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2011-07-07 US disclosed