SCHEMBL30425142

SCHEMBL30425142

Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)c(F)c3)nn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.46
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ EPHB4 P54760 3/20 0.38
▸ KDR P35968 2/20 0.37
▸ TEK Q02763 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL25260181 1.00 HDAC6 (0.46) HDAC6MEN1KMT2APTGS2EPHB4
SCHEMBL25387589 0.91 HDAC6 (0.39) HDAC6
SCHEMBL30424906 0.91 HDAC6 (0.39) HDAC6
SCHEMBL30424858 0.89 HDAC6 (0.43) HDAC6MEN1KMT2AEPHB4KDR
SCHEMBL25387989 0.89 HDAC6 (0.43) HDAC6MEN1KMT2AEPHB4KDR
SCHEMBL25213654 0.89 HDAC6 (0.55) HDAC6PTGS2EPHB4KDRTEK
SCHEMBL30424936 0.89 HDAC6 (0.55) HDAC6PTGS2EPHB4KDRTEK
SCHEMBL25270176 0.87 HDAC6 (0.40) HDAC6DPP4
SCHEMBL30424962 0.87 HDAC6 (0.40) HDAC6DPP4
SCHEMBL25244417 0.85 HDAC6 (0.51) HDAC6

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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