SCHEMBL15580280

SCHEMBL15580280

CCC(=O)NCCCCNC(=O)c1nc(-c2nccs2)sc1CC(C)C

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.83
HDAC3 O15379 18/20 0.83
HDAC6 Q9UBN7 16/20 0.83
HDAC4 P56524 2/20 0.79

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
SCHEMBL15580318 0.99 HDAC1 (0.84) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580279 0.99 HDAC1 (0.84) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580275 0.98 HDAC1 (0.83) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580290 0.91 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4
SCHEMBL19114090 0.91 HDAC1 (0.83) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580302 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580296 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580314 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4
SCHEMBL19114229 0.88 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC4
SCHEMBL15580233 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4

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
EP-2708534-B1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO LTD (CN) 2017-07-12 EP disclosed
EP-2708534-A1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Puyi Chemical Co., Ltd. (CN) 2014-03-19 EP disclosed