SCHEMBL5809689

SCHEMBL5809689

CC(C)(C)CC(=O)N(CCO)c1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL8259238 0.91 LMNA (0.44) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL5809222 0.90 KMT2A (0.43) HDAC1LMNAL3MBTL1
SCHEMBL3506115 0.86 LMNA (0.41) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL5809384 0.84 HDAC1 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL5817993 0.79 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL8260265 0.77 MEN1 (0.38) HDAC1LMNAL3MBTL1
SCHEMBL8260766 0.77 MEN1 (0.39) HDAC1LMNAL3MBTL1
SCHEMBL5817018 0.76 MEN1 (0.40) HDAC1LMNAL3MBTL1
SCHEMBL8259037 0.74 LMNA (0.41) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL5810656 0.71 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC2

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