SCHEMBL8258697

SCHEMBL8258697

CCC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.63
CLK1 P49759 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
SCHEMBL8260306 0.83 HDAC1 (0.55) HDAC1
SCHEMBL8258701 0.81 HDAC1 (0.75) HDAC1
SCHEMBL1885021 0.81 HDAC1 (0.83) HDAC1
SCHEMBL5805572 0.80 HDAC1 (0.71) HDAC1
SCHEMBL1893680 0.78 HDAC1 (1.00) HDAC1
SCHEMBL8257248 0.78 HDAC1 (0.60) HDAC1
SCHEMBL1885451 0.76 HDAC1 (0.70) HDAC1
SCHEMBL5805563 0.74 HDAC1 (0.73) HDAC1
SCHEMBL8291158 0.74 HDAC1 (0.69) HDAC1
SCHEMBL8291865 0.73 HDAC1 (0.61) HDAC1

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 disclosed