SCHEMBL30424990

SCHEMBL30424990

Cn1c(N)nc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)c(F)c4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.44
▸ HDAC1 Q13547 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL25267894 1.00 HDAC6 (0.44) HDAC6HDAC1KMT2ANPC1RAB9A
SCHEMBL25211502 0.90 HDAC6 (0.55) HDAC6HDAC1KMT2A
SCHEMBL30425804 0.90 HDAC6 (0.55) HDAC6HDAC1KMT2A
SCHEMBL30425525 0.89 HDAC6 (0.41) HDAC6HDAC1NPC1RAB9A
SCHEMBL25213271 0.89 HDAC6 (0.41) HDAC6HDAC1NPC1RAB9A
SCHEMBL25222345 0.87 HDAC6 (0.41) HDAC6HDAC1NPC1RAB9A
SCHEMBL30424473 0.87 HDAC6 (0.41) HDAC6HDAC1NPC1RAB9A
SCHEMBL25213327 0.85 HDAC6 (0.45) HDAC6HDAC1NPC1RAB9A
SCHEMBL30424612 0.85 HDAC6 (0.45) HDAC6HDAC1NPC1RAB9A
SCHEMBL25217535 0.85 HDAC6 (0.42) HDAC6KMT2A

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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