SCHEMBL28375294

SCHEMBL28375294

O=[N+]([O-])C(c1ccccc1)[N+](=O)[O-].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GSR P00390 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.40
ADAM17 P78536 1/20 0.40
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
ACP3 P15309 1/20 0.37
MEN1 O00255 1/20 0.37
FBP1 P09467 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL146897 0.97 LMNA (0.46) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL8510918 0.97 LMNA (0.46) LMNAALDH1A1GSRKMT2AKDM4E
Fluoride SCHEMBL27406526 0.95 LMNA (0.44) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL29623050 0.95 LMNA (0.44) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL11696138 0.95 LMNA (0.44) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL29740132 0.93 LMNA (0.42) LMNAALDH1A1GSRKMT2AKDM4E
Toluene SCHEMBL28259657 0.87 LMNA (0.46) LMNAALDH1A1GSRKMT2AKDM4E
Alcohol SCHEMBL28394492 0.85 GSR (0.49) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL30810850 0.84 ALDH1A1 (0.35) LMNAALDH1A1GSRKMT2AKDM4E
SCHEMBL6281430 0.77 LMNA (0.46) LMNAALDH1A1GSRKMT2AKDM4E

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
CN-110964652-A Dinitro sodium toluene sulfonate degrading bacteria and screening method and application thereof 中国科学院青岛生物能源与过程研究所 2020-04-07 CN claimed
CN-110964652-B Dinitro sodium toluene sulfonate degrading bacteria and screening method and application thereof 中国科学院青岛生物能源与过程研究所 2022-04-22 CN disclosed
CN-110964652-A Dinitro sodium toluene sulfonate degrading bacteria and screening method and application thereof 中国科学院青岛生物能源与过程研究所 2020-04-07 CN disclosed