SCHEMBL28099167

SCHEMBL28099167

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPRT1 P00492 1/20 0.45
CASP6 P55212 2/20 0.44
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44
PRKACA P17612 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 3/20 0.42
GPR35 Q9HC97 1/20 0.42
PTGS2 P35354 2/20 0.41
MYC P01106 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
FBP1 P09467 2/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39
BCHE P06276 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
SCHEMBL7051300 0.85 ALDH1A1 (0.60) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL5707263 0.84 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL27548148 0.81 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL3758845 0.81 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL8128599 0.81 ALDH1A1 (0.46) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL28661972 0.81 GPR35 (0.53) ALDH1A1TDP1CASP6MEN1PSMD14
SCHEMBL30139580 0.81 TDP1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL16937118 0.81 TDP1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL29069346 0.81 TDP1 (0.55) ALDH1A1TDP1HPRT1CASP6MEN1
SCHEMBL29236231 0.78 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1CASP6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103852986-B A kind of plasma-initiated polymerization prepares the method for printer carbon dust 鸡西大学 2016-11-02 CN claimed