SCHEMBL7701711

SCHEMBL7701711

Nc1nc([N+](=O)[O-])c([N+](=O)[O-])nc1N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
ALOX15 P16050 2/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 5/20 0.31
TDP1 Q9NUW8 4/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
NQO1 P15559 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20553556 0.88 ALDH1A1 (0.35) ALDH1A1ALOX15HPGDPKMKDM4E
SCHEMBL9629226 0.81 KDM4E (0.36) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL1288337 0.80 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDPKMKDM4E
SCHEMBL13809545 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21168518 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21168391 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14101041 0.79 ALDH1A1 (0.30) ALDH1A1
Water SCHEMBL28227714 0.78 ALDH1A1 (0.32) ALDH1A1ALOX15HPGD
SCHEMBL11071089 0.76 ALDH1A1 (0.33) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL35451 0.75 KMT2A (0.34) ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718978-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-05-16 EP disclosed
US-9142781-B2 Compound for organic electronic device NOVALED AG (DE) 2015-09-22 US disclosed
US-20140174537-A1 Compound for Organic Electronic Device NOVALED AG (DE) 2014-06-26 US disclosed
EP-2718978-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE Novaled AG (DE) 2014-04-16 EP disclosed
WO-2012168358-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE NOVALED AG (DE) 2012-12-13 WO disclosed
US-6345577-B1 WHICH REDUCES THE BURNING RATE AT THE SURFACE OF THE PROPELLANT GRAIN AND CAUSES THE PROPELLANT TO BURN PROGRESSIVELY; IMPROVE THE BURNING PROPERTIES OF THE PROPELLANT WITHOUT DECREASING THE CHEMICAL ENERGY. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2002-02-12 US disclosed