SCHEMBL15580222

SCHEMBL15580222

CC/C=C/c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.82
HDAC1 Q13547 20/20 0.82
HDAC6 Q9UBN7 20/20 0.82
HDAC4 P56524 2/20 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
SCHEMBL15580235 0.90 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580292 0.89 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580206 0.86 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580217 0.86 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL19114268 0.86 HDAC6 (0.67) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580219 0.83 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580238 0.83 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580239 0.81 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580207 0.81 HDAC6 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580233 0.79 HDAC1 (1.00) HDAC3HDAC1HDAC6HDAC4

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