SCHEMBL30425218

SCHEMBL30425218

CN1CCN(C(=O)Nc2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.51
▸ KDR P35968 2/20 0.50
▸ TEK Q02763 2/20 0.50
▸ NAMPT P43490 4/20 0.48
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ UCHL5 Q9Y5K5 1/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL25254557 1.00 HDAC6 (0.51) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL26226766 0.92 NAMPT (0.53) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL30424923 0.90 HDAC6 (0.49) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25267691 0.90 HDAC6 (0.49) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL30424957 0.90 KDM4E (0.45) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25254596 0.90 KDM4E (0.45) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25207943 0.87 UCHL5 (0.56) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL30425502 0.87 UCHL5 (0.56) HDAC6KDRTEKHDAC1HDAC3
SCHEMBL25350756 0.86 HDAC6 (0.53) HDAC6KDRTEKNAMPTHDAC1
SCHEMBL25248032 0.86 KDR (0.60) HDAC6KDRTEKHDAC1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN claimed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN claimed
CN-116157398-B Oxadiazole-based selective histone deacetylase 6 inhibitors 意大发马克股份公司 2025-03-11 — — CN disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN disclosed
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