SCHEMBL31192564

SCHEMBL31192564

Cn1c(=O)n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.48
HDAC1 Q13547 2/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL28711607 1.00 HDAC6 (0.48) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL22746065 0.90 HDAC6 (0.46) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL28695843 0.87 HDAC6 (0.45) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL28695793 0.87 HDAC6 (0.46) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL28696661 0.87 HDAC6 (0.47) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL22716843 0.85 HDAC6 (0.47) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL31192570 0.85 HDAC6 (0.47) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL28691321 0.85 HDAC6 (0.47) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL29504316 0.85 HDAC6 (0.47) HDAC6HDAC1GRIN1GRIN2B
SCHEMBL29504402 0.85 HDAC1 (0.46) HDAC6HDAC1

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-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
CN-113924296-B 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社 钟根堂 2024-09-17 CN disclosed