SCHEMBL5809228

SCHEMBL5809228

O=C(Cc1ccc(F)c(F)c1)NC(Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.62
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MMP2 P08253 1/20 0.46
MET P08581 1/20 0.45

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
SCHEMBL8260274 0.91 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5821196 0.85 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8259679 0.85 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8260770 0.83 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8259001 0.83 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5809231 0.83 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8255855 0.83 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5805384 0.83 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL5809262 0.82 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8260764 0.82 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC4HDAC7

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