SCHEMBL2831314

SCHEMBL2831314

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c[nH]nn2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 6/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 4/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2218947 0.76 ALDH1A1 (0.59) MAPTALDH1A1LMNAKDM4ENPC1
Potassium Ion SCHEMBL11543057 0.74 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL11543051 0.74 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL5712996 0.74 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL5712997 0.74 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL4143917 0.73 MAPT (0.70) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL2411244 0.73 MAPT (0.57) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL11237513 0.72 MAPT (0.51) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL2837734 0.72 MAPT (0.55) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL11229586 0.70 MAPT (0.50) MAPTALDH1A1LMNAKDM4ENPC1

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 5 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
US-4300962-A Ammonium nitrate explosive systems THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1981-11-17 US disclosed