SCHEMBL3842932

SCHEMBL3842932

CC(NCc1ccc(-c2ccccc2)cc1)c1ccc2cc(C(=O)Nc3ccccc3[AsH2])sc2c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.47
HDAC2 Q92769 1/20 0.40

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
SCHEMBL3570546 0.89 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3563743 0.83 HDAC2 (0.54) HDAC1HDAC2
SCHEMBL3568753 0.80 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3565002 0.80 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3565882 0.80 HDAC2 (0.53) HDAC1HDAC2
SCHEMBL3573817 0.79 HDAC2 (0.52) HDAC1HDAC2
SCHEMBL3570977 0.77 HDAC2 (0.54) HDAC1HDAC2
SCHEMBL3569985 0.76 HDAC2 (0.49) HDAC1HDAC2
SCHEMBL3577453 0.75 HDAC2 (0.47) HDAC1HDAC2
SCHEMBL3565273 0.74 HDAC1 (0.51) HDAC1HDAC2

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
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed