SCHEMBL2837882

SCHEMBL2837882

O=[N+]([O-])c1c([N+](=O)[O-])c([N+](=O)[O-])c2[nH]nnc2c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28369623 0.79 ADORA2A (0.33) ADORA2AADORA2BMEN1KMT2A
SCHEMBL7750331 0.77 S100A4 (0.42) ADORA2AADORA2BMEN1KMT2A
SCHEMBL8101772 0.72 ADORA2A (0.38) ADORA2AADORA2BMEN1KMT2A
Silver SCHEMBL9171918 0.71 GPR35 (0.37) ADORA2AADORA2BMEN1KMT2A
SCHEMBL9171930 0.71 GPR35 (0.37) ADORA2AADORA2BMEN1KMT2A
SCHEMBL8622456 0.71 TSHR (0.36) ADORA2AADORA2B
SCHEMBL3725853 0.68 MAPT (0.42) MEN1KMT2A
SCHEMBL10398538 0.67 ALDH1A1 (0.44) ADORA2AADORA2BMEN1KMT2A
SCHEMBL5702767 0.67 GPR35 (0.33) ADORA2AADORA2BMEN1KMT2A
SCHEMBL1194020 0.65 TSHR (0.45) MEN1KMT2A

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 3 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-20020129940-A1 High temperature explosives for downhole well applications SCHLUMBERGER TECHNOLOGY CORPORATION 2002-09-19 US disclosed