SCHEMBL28450076

SCHEMBL28450076

O=C1c2ccccc2S(=O)(=O)c2cccc(B(O)O)c21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
CHEK1 O14757 2/20 0.44
MAOA P21397 3/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRCA1 P38398 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL25989880 0.88 GPR3 (0.52) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL28450077 0.84 ADORA2A (0.36) MAOAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8849776 0.75 MAPT (0.52) MAOAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL30449525 0.75 MAPT (0.52) MAOAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20256467 0.75 ADORA2A (0.56) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL28230943 0.75 GPR3 (0.52) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL11632005 0.74 L3MBTL1 (0.60) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL472539 0.74 GPR3 (0.75) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL31472931 0.74 GPR3 (0.75) GPR3CHEK1MAOAKMT2AMEN1
SCHEMBL29368441 0.74 GPR3 (0.75) GPR3CHEK1MAOAKMT2AMEN1

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-111635413-A Compound, organic electronic device comprising same, and display device or lighting device 苏州大学 2020-09-08 CN disclosed
CN-111620890-A Compound, organic electronic device comprising same, and display device or lighting device 苏州大学 2020-09-04 CN disclosed