SCHEMBL8757085

SCHEMBL8757085

C#CCOS(=O)(=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA4 P22748 5/20 0.46
CA6 P23280 1/20 0.46
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CA7 P43166 4/20 0.37
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.36
LOX P28300 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA5A P35218 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA14 Q9ULX7 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL8757136 0.81 CCR4 (0.38) NPC1L3MBTL1
SCHEMBL31258330 0.79 NPC1 (0.40) CA1CA2CA4CA12CA9
SCHEMBL8756138 0.79 L3MBTL1 (0.49) CA1CA2CA4CA12CA9
SCHEMBL19280572 0.79 NPC1 (0.40) CA1CA2CA4CA12CA9
SCHEMBL27277580 0.77 CA2 (0.47) CA1CA2CA12CA9LOX
SCHEMBL254799 0.74 PARL (0.43) CA1CA2CA4CA6CA12
SCHEMBL31167353 0.74 PLCG1 (0.48) PLCG1CA1CA2CA4CA6
SCHEMBL5026645 0.73 CA1 (0.60) PLCG1CA1CA2CA4CA6
SCHEMBL12761882 0.71 PLCG1 (0.44) PLCG1CA1CA2CA4CA12
SCHEMBL8756139 0.70 CA1 (0.43) PLCG1CA1CA2CA4CA6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535613-B1 Imine compounds and their production SUMITOMO CHEMICAL CO (JP) 1997-05-07 EP disclosed
US-5410050-A Reacting imine-substituted benzoxazinone with electrophilic reagent to convert secondary amide to tertiary amide, reacting product with 3,4,5,6-tetrahydrophthalic anhydride to form imide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-25 US disclosed
US-5247082-A 6-imino-7-fluoro-1,4-benzoxazin-3-ones, herbicide intermediate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-09-21 US disclosed
EP-0535613-A1 Imine compounds and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-07 EP disclosed