SCHEMBL2832060

SCHEMBL2832060

O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]nnc23)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
GPR35 Q9HC97 4/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TTR P02766 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3733557 0.81 TXNRD1 (0.46) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL9951895 0.74 GPR35 (0.43) TDP1MAPTALDH1A1KDM4EGPR35
SCHEMBL1020447 0.74 MEN1 (0.47) TDP1MAPTALDH1A1CYP1A2HPGD
SCHEMBL1981384 0.71 ALDH1A1 (0.50) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL2822069 0.71 ALDH1A1 (0.58) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL5702820 0.70 MAPT (0.45) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL3216440 0.70 CHUK (0.40) MAPTALDH1A1CYP1A2HPGDMEN1
SCHEMBL16989788 0.69 TDP1 (0.50) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL8686866 0.69 ALDH1A1 (0.56) TDP1MAPTALDH1A1KDM4ETXNRD1
SCHEMBL3728212 0.68 TSHR (0.37) TDP1MAPTALDH1A1KDM4ETXNRD1

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