SCHEMBL5080205

SCHEMBL5080205

Nc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 3/20 0.58
ALOX15 P16050 2/20 0.58
TSHR P16473 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 2/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 4/20 0.47
CTSB P07858 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30040348 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL9107706 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL10400389 0.84 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL221077 0.82 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL11802635 0.82 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL10943186 0.82 TDP1 (0.56) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL266593 0.82 ALDH1A1 (0.76) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL28268627 0.81 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL2837407 0.80 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL19071954 0.80 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15TSHR

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
US-9470058-B2 Ultra high temperature packer by high-temperature elastomeric polymers SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2016-10-18 US disclosed
US-8436106-B2 Crosslinkers and materials produced using them SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2013-05-07 US disclosed
US-20110139466-A1 ULTRA HIGH TEMPERATURE PACKER BY HIGH-TEMPERATURE ELASTOMERIC POLYMERS SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2011-06-16 US disclosed
US-20080124534-A1 Polyamide, Film, and Image Display Device FUJIFILM CORPORATION (JP) 2008-05-29 US disclosed
EP-1480979-B1 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET SA (FR) 2007-05-02 EP disclosed
EP-1480979-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2004-12-01 EP disclosed
WO-2003074523-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2003-09-12 WO disclosed
US-5770736-A DIAZONIUM-, AZIDO-, OR AZOCARBOXYLATE-DERIVATIZED POLYPHENYLENE AMIDATE COMPOUNDS NORTHEASTERN UNIVERSITY (US) 1998-06-23 US disclosed
US-5149818-A Dissolving pentanitroaniline in solvent, adding alkali metal azide, preceipitation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-09-22 US disclosed