SCHEMBL28217410

SCHEMBL28217410

NS(=O)(=O)c1ccc(Nc2ccc(/N=N/c3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.65
CA9 Q16790 11/20 0.65
CA12 O43570 9/20 0.65
CA7 P43166 2/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
CA1 P00915 6/20 0.53
POLB P06746 2/20 0.53
CYP2D6 P10635 1/20 0.53
PTGS2 P35354 4/20 0.51
PTGS1 P23219 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SOS1 Q07889 1/20 0.51
CA4 P22748 1/20 0.51

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
SCHEMBL5881591 0.89 CA2 (0.70) CA2CA9CA12CA7MEN1
SCHEMBL10706744 0.89 CA2 (0.70) CA2CA9CA12CA7MEN1
SCHEMBL8023015 0.85 CA1 (0.67) CA2CA9CA12CA7MEN1
SCHEMBL31555953 0.81 ALDH1A1 (0.62) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL28107398 0.81 SOS1 (0.70) CA2CA9CA12CA7KMT2A
Azobenzene SCHEMBL28217411 0.80 CA2 (0.81) CA2CA9CA12CA7MEN1
SCHEMBL460752 0.79 POLB (0.73) CA2CA9CA12MEN1KMT2A
SCHEMBL460751 0.79 POLB (0.73) CA2CA9CA12MEN1KMT2A
SCHEMBL218141 0.79 TDP1 (0.52) CA2CA9CA12MEN1KMT2A
SCHEMBL1916324 0.79 TDP1 (0.52) CA2CA9CA12MEN1KMT2A

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-108002513-A A kind of method for activating organic peroxide degradation of dye waste water 苏州科技大学 2018-05-08 CN disclosed