SCHEMBL29488266

SCHEMBL29488266

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.48
MAPT P10636 2/20 0.48
PLA2G1B P04054 1/20 0.48
DUSP3 P51452 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
PIN1 Q13526 1/20 0.46
MGLL Q99685 1/20 0.43
ALPI P09923 1/20 0.43
GRIK1 P39086 1/20 0.42
KIF11 P52732 1/20 0.42

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
SCHEMBL28738683 1.00 ABCG2 (0.48) ABCG2MAPTPLA2G1BDUSP3CTDSP1
SCHEMBL28738684 0.88 MAPT (0.54) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL29488257 0.88 MAPT (0.54) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738676 0.86 MAPT (0.59) ABCG2MAPTPLA2G1BDUSP3CTDSP1
SCHEMBL28738669 0.83 MGLL (0.46) ABCG2MAPTMEN1KMT2AMGLL
SCHEMBL29488256 0.83 MGLL (0.46) ABCG2MAPTMEN1KMT2AMGLL
SCHEMBL29488270 0.80 XDH (0.50) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738673 0.80 XDH (0.50) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL28738671 0.78 MAPT (0.51) MAPTPLA2G1BDUSP3CTDSP1ATG4B
SCHEMBL8201681 0.77 MEN1 (0.58) 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