SCHEMBL5809384

SCHEMBL5809384

CC(C)CCNCCN(C(=O)CC(C)(C)C)c1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
GPR88 Q9GZN0 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL3506115 0.87 LMNA (0.41) HDAC1LMNAL3MBTL1HDAC3HDAC4
SCHEMBL5809689 0.84 HDAC1 (0.43) HDAC1LMNAL3MBTL1HDAC3HDAC4
SCHEMBL8259238 0.84 LMNA (0.44) HDAC1LMNAL3MBTL1HDAC3HDAC4
SCHEMBL8260766 0.78 MEN1 (0.39) HDAC1LMNAL3MBTL1POLBSMN1; SMN2
SCHEMBL8259037 0.78 LMNA (0.41) HDAC1LMNAL3MBTL1HDAC3HDAC4
SCHEMBL5809222 0.74 KMT2A (0.43) HDAC1LMNAL3MBTL1MEN1KMT2A
SCHEMBL5817018 0.72 MEN1 (0.40) HDAC1LMNAL3MBTL1MEN1KMT2A
SCHEMBL8260265 0.71 MEN1 (0.38) HDAC1LMNAL3MBTL1POLBMEN1
SCHEMBL5810656 0.65 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1886656 0.65 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2

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