SCHEMBL7405604

SCHEMBL7405604

O=C1CC(Br)=NN1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CYP3A4 P08684 1/20 0.62
CHRM1 P11229 1/20 0.62
TSHR P16473 1/20 0.62
PTGS1 P23219 1/20 0.62
DRD3 P35462 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.59
SHMT2 P34897 1/20 0.57
LOX P28300 1/20 0.57
APP P05067 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.48

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
SCHEMBL7407077 0.77 POLB (0.64) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL124721 0.77 GAA (0.65) GAAKMT2AMAPTMEN1ALDH1A1
Edaravone SCHEMBL4704 0.77 KMT2A (1.00) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL7400667 0.77 GAA (0.62) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL11729834 0.76 MEN1 (0.61) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL2604371 0.76 MEN1 (0.74) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3408946 0.74 POLB (1.00) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL6757713 0.73 MEN1 (0.63) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL5976227 0.73 GAA (0.62) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL8615912 0.73 GAA (0.57) GAAKMT2AMAPTMEN1ALDH1A1

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-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed