SCHEMBL30424988

SCHEMBL30424988

Nc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.47
▸ PIK3CA P42336 11/20 0.45
▸ PI4KA P42356 11/20 0.45
▸ PI4KB Q9UBF8 11/20 0.45
▸ PIK3CD O00329 10/20 0.43
▸ PIK3CB P42338 9/20 0.43
▸ PIK3CG P48736 9/20 0.43
▸ PIP5K1C O60331 1/20 0.38

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
SCHEMBL25242699 1.00 HDAC6 (0.47) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25211080 0.94 HDAC6 (0.47) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL30424920 0.94 HDAC6 (0.47) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25252672 0.92 PIK3CA (0.43) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25267881 0.88 PIK3CA (0.54) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25213667 0.88 PIK3CA (0.45) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL30425066 0.88 HDAC6 (0.50) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25216541 0.88 HDAC6 (0.50) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL25243287 0.87 PIK3CA (0.39) HDAC6PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL30425271 0.87 PIK3CA (0.39) HDAC6PIK3CAPI4KAPI4KBPIK3CD

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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