SCHEMBL5809231

SCHEMBL5809231

O=C(NC(Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.67
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL8259001 1.00 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8260403 0.93 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5806224 0.93 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8257234 0.91 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5810781 0.91 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8259692 0.91 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8258353 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5805540 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5818156 0.89 HDAC1 (0.61) HDAC1
SCHEMBL8260770 0.88 HDAC1 (0.63) 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 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