SCHEMBL29159253

SCHEMBL29159253

O=C(NO)c1ccc(CN2CNS(=O)(=O)c3cc(F)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.57
HDAC1 Q13547 15/20 0.56
HDAC6 Q9UBN7 14/20 0.56
GRIA1 P42261 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
HDAC8 Q9BY41 6/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC11 Q96DB2 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL29159250 0.88 GRIA2 (0.56) GRIA2HDAC1HDAC6GRIA1GRIA3
SCHEMBL30707941 0.79 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL21643754 0.74 HDAC1 (0.87) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL22823720 0.73 GRIA2 (1.00) GRIA2GRIA1GRIA3GRIA4
SCHEMBL32682813 0.73 GRIA2 (1.00) GRIA2GRIA1GRIA3GRIA4
SCHEMBL5359084 0.72 GRIA2 (0.73) GRIA2GRIA1GRIA3GRIA4
SCHEMBL19260229 0.72 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL28633676 0.72 HDAC1 (0.95) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL20548017 0.71 HDAC6 (0.87) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL21643770 0.71 HDAC1 (0.70) HDAC1HDAC6HDAC8

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
CN-117285484-B Benzothiadiazine 1, 1-dioxide compounds inhibiting HDAC6 enzyme, preparation method and application thereof Shanghai Pharmaceutical Industry Research Institute Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-117285484-A Benzothiadiazine 1, 1-dioxide compounds inhibiting HDAC6 enzyme, preparation method and application thereof 上海医药工业研究院有限公司 2023-12-26 CN disclosed