SCHEMBL7051300

SCHEMBL7051300

O=[N+]([O-])c1ccc(-c2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
HPRT1 P00492 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PSMD14 O00487 1/20 0.46
PRKACA P17612 1/20 0.46
CASP6 P55212 1/20 0.46
TSHR P16473 2/20 0.44
GPR35 Q9HC97 1/20 0.44
FBP1 P09467 1/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MYC P01106 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
ABCC8 Q09428 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
SCHEMBL29236231 0.90 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL28099167 0.85 ALDH1A1 (0.56) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL1392515 0.85 TDP1 (0.71) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL30139580 0.84 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL16937118 0.84 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL29069346 0.84 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL5707263 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL3758845 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL3870424 0.84 TDP1 (0.55) ALDH1A1TDP1HPRT1MEN1KMT2A
SCHEMBL2832432 0.83 BCHE (0.50) ALDH1A1TDP1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 CN disclosed