SCHEMBL2837833

SCHEMBL2837833

O=C(c1ccccc1)c1c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.50
CES2 O00748 2/20 0.50
POLB P06746 2/20 0.50
CES1 P23141 1/20 0.50
VCAM1 P19320 1/20 0.49
SRD5A2 P31213 2/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.43
S100A4 P26447 1/20 0.42

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
SCHEMBL28685965 0.80 MAPK1 (0.54) ALDH1A1MAPK1CES2POLBCES1
SCHEMBL27907819 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1CES2POLBCES1
Benzophenone SCHEMBL28810498 0.78 ALDH1A1 (0.70) ALDH1A1MAPK1CES2POLBCES1
SCHEMBL11777970 0.77 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MEN1KMT2A
Benzophenone SCHEMBL9125281 0.77 POLB (0.72) ALDH1A1MAPK1CES2POLBCES1
Benzophenone SCHEMBL27290369 0.77 MAPK1 (0.64) ALDH1A1MAPK1CES2POLBCES1
Benzophenone SCHEMBL27490408 0.77 POLB (0.79) ALDH1A1MAPK1CES2POLBCES1
SCHEMBL1812113 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1CES2POLBCES1
SCHEMBL11107590 0.76 MAPK1 (0.54) ALDH1A1MAPK1CES2POLBCES1
SCHEMBL229627 0.75 POLB (0.82) ALDH1A1MAPK1CES2POLBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8226782-B2 Application of high temperature explosive to downhole use SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2012-07-24 US disclosed
WO-2010042258-A2 APPLICATION OF HIGH TEMPERATURE EXPLOSIVE TO DOWNHOLE USE SCHLUMBERGER CANADA LIMITED (CA) 2010-04-15 WO disclosed
US-20100006193-A1 APPLICATION OF HIGH TEMPERATURE EXPLOSIVE TO DOWNHOLE USE SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2010-01-14 US disclosed
US-20020129940-A1 High temperature explosives for downhole well applications SCHLUMBERGER TECHNOLOGY CORPORATION 2002-09-19 US disclosed