SCHEMBL28526172

SCHEMBL28526172

C=C(CS(=O)(=O)CC(=C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.47
MAOB P27338 6/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CES1 P23141 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL10701243 0.90 MAOA (0.42) MAOAMAOBCES1MAPTHPGD
SCHEMBL9498520 0.86 SMN1; SMN2 (0.48) CA1CA2CA5ACA9KDM4E
SCHEMBL9436499 0.85 MAOA (0.39) MAOAMAOBCA12CA1CA2
SCHEMBL2866425 0.84 MAOA (0.45) MAOAMAOBCA12CA1CA2
SCHEMBL9843356 0.83 MAOA (0.38) MAOAMAOBCA12CA9CA14
SCHEMBL9488126 0.83 MAOA (0.44) MAOAMAOBCA12CA1CA2
SCHEMBL15413487 0.83 MAOA (0.44) MAOAMAOBCA12CA1CA2
SCHEMBL9645780 0.82 CES2 (0.41) MAOAMAOBCES1TDP1CES2
SCHEMBL9494682 0.81 HSD11B1 (0.52) CA12CA2CA9MAPTMEN1
SCHEMBL9488123 0.81 MAOA (0.42) MAOAMAOBCA12CA1CA2

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-116396170-A Method for producing fluorine-containing compound 大金工业株式会社 2023-07-07 CN disclosed
CN-112334435-A Process for producing fluorine-containing compound 大金工业株式会社 2021-02-05 CN disclosed