SCHEMBL4386352

SCHEMBL4386352

S=C(S)c1ccc(C(=S)SCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
IDO1 P14902 9/20 0.44
NOS1 P29475 2/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL164241 0.91 CA12 (0.59) CA12CA1CA2CA9IDO1
SCHEMBL36459 0.87 CA12 (0.59) CA12CA1CA2CA9IDO1
SCHEMBL20815367 0.85 HDAC3 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL6721001 0.84 CA12 (0.52) CA12CA1CA2CA9IDO1
SCHEMBL1524417 0.83 CA12 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL7584270 0.82 L3MBTL1 (0.54) CA12CA1CA2CA9IDO1
SCHEMBL7573418 0.82 CA12 (0.50) CA12CA1CA2CA9IDO1
SCHEMBL28472436 0.79 CA12 (0.59) CA12CA1CA2CA9IDO1
SCHEMBL7572807 0.78 MAOB (0.54) CA12CA1CA2CA9IDO1
SCHEMBL2045957 0.78 CA12 (0.46) CA12CA1CA2CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298729-A1 Star Polymer Lubricating Composition THE LUBRIZOL CORPORATION (CH) 2009-12-03 US disclosed