SCHEMBL27401002

SCHEMBL27401002

CC(=S)SCc1cc(CSC(=S)c2ccccc2)c(CSC(=S)c2ccccc2)cc1CSC(=S)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 0.93 CA12 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24633983 0.83 CA12 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4298117 0.83 CA12 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL164079 0.77 CA12 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL36459 0.75 CA12 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1524417 0.75 CA12 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4071342 0.72 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24634027 0.71 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2046181 0.71 ALDH1A1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL237654 0.71 SMN1; SMN2 (0.43) ALDH1A1MAPTNPSR1NPC1RAB9A

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-12018103-B2 Flow cell and methods ILLUMINA CAMBRIDGE LIMITED (GB) 2024-06-25 US disclosed