SCHEMBL5808207

SCHEMBL5808207

O=C(CCC1CCCCC1)NC(Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
USP30 Q70CQ3 4/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8258867 1.00 HDAC1 (0.55) HDAC1USP30HDAC8
SCHEMBL8260313 0.91 HDAC1 (0.56) HDAC1
SCHEMBL8260475 0.87 HDAC1 (0.52) HDAC1
SCHEMBL5810811 0.87 HDAC1 (0.52) HDAC1
SCHEMBL8258865 0.86 HDAC1 (0.56) HDAC1USP30
SCHEMBL5809254 0.86 HDAC1 (0.56) HDAC1USP30
SCHEMBL8260770 0.86 HDAC1 (0.63) HDAC1HDAC8
SCHEMBL5806240 0.85 HDAC1 (0.53) HDAC1
SCHEMBL8258575 0.85 HDAC1 (0.53) HDAC1
SCHEMBL8255855 0.85 HDAC1 (0.61) HDAC1HDAC8

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
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed