SCHEMBL2728751

SCHEMBL2728751

O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
DTYMK P23919 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 4/20 0.46
CASP6 P55212 1/20 0.46
CDK2 P24941 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
MAPK1 P28482 1/20 0.40
VCAM1 P19320 1/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30527915 1.00 TDP1 (0.50) TDP1DTYMKALDH1A1CYP1A2CYP2D6
SCHEMBL8063523 0.87 ALDH1A1 (0.49) TDP1DTYMKALDH1A1CYP1A2CYP2D6
SCHEMBL8065104 0.87 TDP1 (0.57) TDP1DTYMKALDH1A1CYP1A2CYP2D6
SCHEMBL28750225 0.84 VCAM1 (0.52) TDP1ALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL3639673 0.83 TSHR (0.50) TDP1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL304470 0.82 CASP6 (0.55) TDP1DTYMKALDH1A1TSHRCASP6
SCHEMBL28343885 0.82 TDP1 (0.43) TDP1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL27501298 0.81 CASP6 (0.53) TDP1DTYMKALDH1A1TSHRCASP6
Benzene SCHEMBL9443154 0.80 TDP1 (0.57) TDP1ALDH1A1TSHRHTR2AHTR2C
SCHEMBL6436911 0.80 GPR35 (0.50) TDP1DTYMKALDH1A1TSHRCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620397-B Treatment system and treatment method for nitric acid-containing system 山东友道化学有限公司 2023-08-25 CN disclosed
CN-111792631-B Device and method for treating nitric acid containing high-boiling-point organic matters 山东友道化学有限公司 2023-08-18 CN disclosed
CN-215102081-U Treatment system containing nitric acid system 山东友道化学有限公司 2021-12-10 CN disclosed
US-20210189497-A1 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE SAME SENZAGEN AB (SE) 2021-06-24 US disclosed
CN-212450641-U Nitric acid treatment device containing high-boiling point organic matter 山东友道化学有限公司 2021-02-02 CN disclosed
CN-111792631-A Device and method for treating nitric acid containing high-boiling-point organic matters 山东友道化学有限公司 2020-10-20 CN disclosed
CN-111620397-A Treatment system and treatment method for nitric acid-containing system 山东友道化学有限公司 2020-09-04 CN disclosed
CN-105693634-B Compound and application thereof 清华大学 2018-12-11 CN disclosed
US-20170218449-A1 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE SAME SENZAGEN AB (SE) 2017-08-03 US disclosed
CN-106831614-A Substituted benzodiazepine * heterocycle compound and its production and use 清华大学 2017-06-13 CN disclosed
EP-2633077-B1 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE IDENTIFICATION OF AGENTS INDUCING SENSITIZATION IN HUMAN SKIN SENZAGEN AB (SE) 2017-06-07 EP disclosed
US-20130274134-A1 Analytical Methods and Arrays for Use in the Same SENZAGEN AB (SE) 2013-10-17 US disclosed
EP-2633077-A2 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE IDENTIFICATION OF AGENTS INDUCING SENSITIZATION IN HUMAN SKIN Senzagen AB (SE) 2013-09-04 EP disclosed
WO-2012056236-A2 ANALYTICAL METHODS AND ARRAYS FOR USE IN THE SAME SENZAGEN AB (SE) 2012-05-03 WO disclosed