SCHEMBL1003500

SCHEMBL1003500

O=C(NO)c1cc2ccc(NC(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C(=O)O)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.65

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
SCHEMBL1000828 1.00 HDAC1 (0.65) HDAC1
SCHEMBL1001086 0.83 HDAC1 (0.64) HDAC1
SCHEMBL1884523 0.81 HDAC1 (0.73) HDAC1
SCHEMBL1891537 0.79 HDAC1 (0.74) HDAC1
SCHEMBL1883963 0.79 HDAC1 (1.00) HDAC1
SCHEMBL1892719 0.79 HDAC1 (1.00) HDAC1
SCHEMBL1887639 0.79 HDAC1 (1.00) HDAC1
SCHEMBL1890974 0.79 HDAC1 (0.73) HDAC1
SCHEMBL1001467 0.78 HDAC1 (0.68) HDAC1
SCHEMBL4459748 0.78 HDAC1 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872024-B2 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME CORP. (US) 2011-01-18 US claimed
US-7872024-B2 Benzothiophene hydroxamic acid derivatives with carbamate, urea, amide and sulfonamide substitutions MERCK SHARP & DOHME CORP. (US) 2011-01-18 US disclosed