SCHEMBL3705822

SCHEMBL3705822

O=C(OCc1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL567201 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL7746053 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL14616993 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL1053908 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL28840600 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL16226094 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
Hydrochloric Acid SCHEMBL7133568 0.76 SLC6A2 (0.40) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL1205029 0.75 CCR5 (0.50) PTGDR2
SCHEMBL8895608 0.75 KDM4E (0.57) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL29874435 0.75 KDM4E (0.57) ALDH1A1KMT2AKDM4EMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640780-B1 UV CURABLE ANHYDRIDE-MODIFIED POLY(ISOBUTYLENE) 3M INNOVATIVE PROPERTIES CO (US) 2018-05-09 EP disclosed
US-9217050-B2 Crosslinkable composition comprising photobase generators 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-22 US disclosed
US-20150232596-A1 CROSSLINKABLE COMPOSITION COMPRISING PHOTOBASE GENERATORS 3M INNOVATIVE PROPERTIES COMPANY 2015-08-20 US disclosed
US-8673996-B2 UV curable anhydride-modified poly(isobutylene) 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-03-18 US disclosed
US-20120123011-A1 UV CURABLE ANHYDRIDE-MODIFIED POLY(ISOUTYLENE) 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
EP-2191308-A1 LIGHT GUIDE WITH FLEXIBILITY AND DURABILITY 3M Innovative Properties Company (US) 2010-06-02 EP disclosed
WO-2009032721-A1 LIGHT GUIDE WITH FLEXIBILITY AND DURABILITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-03-12 WO disclosed
EP-1747245-A1 FERROCENIUM-DERIVED CATALYST FOR CATIONICALLY POLYMERIZABLE MONOMERS 3M Innovative Properties Company (US) 2007-01-31 EP disclosed
WO-2005113633-A1 FERROCENIUM-DERIVED CATALYST FOR CATIONICALLY POLYMERIZABLE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-01 WO disclosed