SCHEMBL4298117

SCHEMBL4298117

S=C(SCc1ccccc1CSC(=S)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
IDO1 P14902 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL173453 0.89 CA12 (0.38) CA12CA1CA2CA9HDAC3
SCHEMBL164079 0.84 CA12 (0.41) CA12CA1CA2CA9HDAC3
SCHEMBL27401002 0.83 HDAC3 (0.36) CA12CA1CA2CA9HDAC3
SCHEMBL36459 0.83 CA12 (0.59) CA12CA1CA2CA9HDAC3
SCHEMBL1524417 0.83 CA12 (0.53) CA12CA1CA2CA9HDAC3
SCHEMBL2046181 0.82 ALDH1A1 (0.32) CA12CA1CA2CA9HDAC3
SCHEMBL237654 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL24633983 0.80 CA12 (0.33) CA12CA1CA2CA9HDAC3
SCHEMBL164241 0.78 CA12 (0.59) CA12CA1CA2CA9HDAC3
SCHEMBL10818451 0.77 POLB (0.42) CA12CA1CA2CA9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033683-A1 INTERMITTENT CATHETERS CONVATEC LIMITED (GB) 2023-02-02 US disclosed
US-9410104-B2 Star polymer lubricating composition THE LUBRIZOL CORPORATION (US) 2016-08-09 US disclosed
US-9359577-B2 Star polymer lubricating composition THE LUBRIZOL CORPORATION (US) 2016-06-07 US disclosed
US-20130184189-A1 Star Polymer Lubricating Composition THE LUBRIZOL CORPORATION (US) 2013-07-18 US disclosed
US-20090270285-A1 Star Polymer Lubricating Composition THE LUBRIZOL CORPORATION (US) 2009-10-29 US disclosed
EP-0910587-B1 POLYMERIZATION WITH LIVING CHARACTERISTICS DU PONT (US) 2001-12-12 EP disclosed