SCHEMBL15580294

SCHEMBL15580294

CCC(=O)NCCCNC(=O)c1nc(-c2nccs2)sc1C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.73
HDAC3 O15379 19/20 0.73
HDAC1 Q13547 19/20 0.73
HDAC4 P56524 1/20 0.53

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
SCHEMBL19114321 0.90 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC4
SCHEMBL15580238 0.84 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC4
SCHEMBL19114182 0.84 HDAC6 (0.83) HDAC6HDAC3HDAC1HDAC4
SCHEMBL19114137 0.84 HDAC6 (0.83) HDAC6HDAC3HDAC1HDAC4
SCHEMBL15580275 0.84 HDAC1 (0.83) HDAC6HDAC3HDAC1HDAC4
SCHEMBL19114023 0.82 HDAC6 (0.84) HDAC6HDAC3HDAC1HDAC4
SCHEMBL15580280 0.82 HDAC1 (0.83) HDAC6HDAC3HDAC1HDAC4
SCHEMBL15580318 0.81 HDAC1 (0.84) HDAC6HDAC3HDAC1HDAC4
SCHEMBL15580279 0.81 HDAC1 (0.84) HDAC6HDAC3HDAC1HDAC4
SCHEMBL19114268 0.75 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC4

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