SCHEMBL29488257

SCHEMBL29488257

O=C(c1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
PLA2G1B P04054 1/20 0.54
DUSP3 P51452 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
ALPI P09923 1/20 0.50
TP53 P04637 1/20 0.49
XDH P47989 1/20 0.48
GUSB P08236 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PARP1 P09874 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL28738684 1.00 MAPT (0.54) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738676 0.93 MAPT (0.59) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738673 0.91 XDH (0.50) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL29488270 0.91 XDH (0.50) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738683 0.88 ABCG2 (0.48) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL29488266 0.88 ABCG2 (0.48) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738671 0.85 MAPT (0.51) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28307895 0.84 MEN1 (0.50) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL8201681 0.83 MEN1 (0.58) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738700 0.82 ALDH1A1 (0.52) MAPTPLA2G1BDUSP3CTDSP1ATG4B

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-109897008-B 2-benzoyl-6-amino-4 (3H) -quinazolinone derivative and synthesis method and application thereof 中南大学 2022-05-03 CN disclosed