SCHEMBL414626

SCHEMBL414626

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA1 P00915 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL416925 0.98 CA12 (0.38) CA12CA6CA7CA9CA14
SCHEMBL260097 0.81
SCHEMBL11594978 0.76
SCHEMBL11597304 0.74 CYP2C19 (0.35) MEN1KMT2A
SCHEMBL3513744 0.69
SCHEMBL11594967 0.69
SCHEMBL8512227 0.69 GNAI3 (0.32)
SCHEMBL9646467 0.69 HIF1A (0.32)
SCHEMBL8975017 0.69
SCHEMBL11593405 0.69

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 196 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
EP-2457940-B1 Fluorinated supramolecular polymers SUPRAPOLIX BV (NL) 2018-10-24 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-2438114-B1 USE OF MOLECULES HAVING ASSOCIATIVE GROUPS AS HARDENERS FOR THERMOSETTING RESINS ARKEMA FRANCE (FR) 2017-11-08 EP claimed
EP-2217641-B1 MATERIAL FORMED FROM DENDRITIC MOLECULES CONTAINING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2017-03-08 EP 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
EP-2331641-B1 NEUTRALIZING AGENT FOR PAINTS ARKEMA FRANCE (FR) 2016-12-21 EP claimed
US-9340626-B2 Tire and rubber composition containing a grafted polymer COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-05-17 US claimed
US-9301912-B2 Material formed from dendritic molecules containing associative groups ARKEMA FRANCE (FR) 2016-04-05 US 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-20100273965-A1 POLYMERIC ADDITIVES OBTAINED BY SALIFICATION OF COPOLYMERS ARKEMA FRANCE (FR) 2010-10-28 US claimed
WO-2010112743-A1 USE, AS A SHOCK ABSORBER, OF A MATERIAL FORMED FROM BRANCHED MOLECULES CONTAINING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2010-10-07 WO claimed
EP-2235070-A1 POLYMERIC ADDITIVES OBTAINED BY SALIFICATION OF COPOLYMERS ARKEMA FRANCE (FR) 2010-10-06 EP claimed
EP-2225312-A2 METHOD OF PREPARING A MATERIAL FORMED FROM BRANCHED MOLECULES COMPRISING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2010-09-08 EP claimed
EP-2217641-A1 MATERIAL FORMED FROM DENDRITIC MOLECULES CONTAINING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2010-08-18 EP claimed
WO-2010037953-A1 NEUTRALIZING AGENT FOR PAINTS ARKEMA FRANCE (FR) 2010-04-08 WO claimed
WO-2009141558-A2 METHOD FOR SYNTHESIZING SUPRAMOLECULAR MATERIALS ARKEMA FRANCE (FR) 2009-11-26 WO claimed
WO-2009080499-A1 POLYMERIC ADDITIVES OBTAINED BY SALIFICATION OF COPOLYMERS ARKEMA FRANCE (FR) 2009-07-02 WO claimed
WO-2009081065-A2 METHOD OF PREPARING A MATERIAL FORMED FROM BRANCHED MOLECULES COMPRISING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2009-07-02 WO claimed
WO-2009071554-A1 MATERIAL FORMED FROM DENDRITIC MOLECULES CONTAINING ASSOCIATIVE GROUPS ARKEMA FRANCE (FR) 2009-06-11 WO claimed