SCHEMBL27722609

SCHEMBL27722609

CC(N)(C=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
OGG1 O15527 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
NOS1 P29475 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL2586021 0.79 KCNN4 (0.46) ALDH1A1ALOX15MAPK1KMT2ACYP1A2
SCHEMBL13068858 0.77 KCNN4 (0.43) ALDH1A1MAPK1KMT2AMEN1NPC1
SCHEMBL27847412 0.77 MEN1 (0.48) CYP2A6MAPK1KMT2AMEN1NPC1
SCHEMBL27482626 0.76 CYP2A6 (0.40) CA2CA1CA5ACA9CYP2A6
SCHEMBL3053977 0.76 CYP2A6 (0.40) CA2CA1CA5ACA9CYP2A6
SCHEMBL6284155 0.76 KIF11 (0.43) CYP2A6ALDH1A1MAPK1KMT2AMEN1
SCHEMBL756324 0.75 PDE2A (0.50) CA2CA1CA5ACA9CYP2A6
SCHEMBL27702137 0.74 CYP19A1 (0.32)
Iodide SCHEMBL25233569 0.73 PDE2A (0.48) CA2CA1CA5ACA9CYP2A6
Hydrochloric Acid SCHEMBL992228 0.73 PDE2A (0.48) CA2CA1CA5ACA9CYP2A6

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
CN-101160128-B Protective agent for retinal neuronal cell comprising indazole derivative as active ingredient UBE INDUSTRIES 2010-08-18 CN disclosed
CN-101160128-A Protective agent for retinal neuronal cell comprising indazole derivative as active ingredient UBE INDUSTRIES (JP) 2008-04-09 CN disclosed