SCHEMBL2832056

SCHEMBL2832056

O=[N+]([O-])c1c(-n2nnc3ccccc32)c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 4/20 0.59
GAA P10253 4/20 0.59
HPGD P15428 1/20 0.59
CCR6 P51684 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MGAM O43451 3/20 0.46
AMY1A P0DUB6 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KCNMA1 Q12791 1/20 0.45
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TGM2 P21980 1/20 0.41
DGAT1 O75907 1/20 0.41

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
SCHEMBL6298229 0.76 KMT2A (0.63) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL17681658 0.72 ALDH1A1 (0.58) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL12204501 0.72 SLC9A1 (0.53) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3163648 0.72 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL8431460 0.71 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL6298273 0.71 ALDH1A1 (0.71) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL277629 0.70 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL12175671 0.70 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTGAA
Silver SCHEMBL11416599 0.69 KMT2A (0.48) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL11503462 0.69 KMT2A (0.48) KMT2AALDH1A1MEN1MAPTGAA

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