SCHEMBL5594550

SCHEMBL5594550

O=[N+]([O-])C(COCC(c1ccccc1)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
NPC1 O15118 2/20 0.39
ADAM17 P78536 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
KMT2A Q03164 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 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
SCHEMBL28046602 0.85 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL28046603 0.85 GSR (0.42) GSRNPC1ADAM17ALDH1A1NPSR1
SCHEMBL14952759 0.82 GSR (0.40) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL11043086 0.79 GSR (0.38) GSRNPC1ADAM17ALDH1A1NPSR1
SCHEMBL5682429 0.79 ALDH1A1 (0.43) GSRALDH1A1LMNANPSR1CYP1A2
SCHEMBL28978165 0.79 ALDH1A1 (0.43) GSRALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL3115677 0.78 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL3336779 0.78 GSR (0.55) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL8125002 0.78 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL266714 0.78 LMNA (0.43) GSRNPC1ADAM17ALDH1A1LMNA

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
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO claimed
CN-108496233-B Capacitor with a capacitor element 日本贵弥功株式会社 2020-09-04 CN disclosed
CN-110770862-A Electrode foil for capacitor and capacitor 日本贵弥功株式会社 2020-02-07 CN disclosed
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO disclosed