SCHEMBL30424952

SCHEMBL30424952

Nc1ncc2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4Cl)n3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.52
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25387164 1.00 HDAC6 (0.52) HDAC6POLBRAB9AATMSMN1; SMN2
SCHEMBL25389287 0.91 HDAC6 (0.49) HDAC6RAB9ASMN1; SMN2
SCHEMBL30425027 0.91 HDAC6 (0.49) HDAC6RAB9ASMN1; SMN2
SCHEMBL30424830 0.89 HDAC6 (0.58) HDAC6
SCHEMBL25244316 0.89 HDAC6 (0.58) HDAC6
SCHEMBL25386636 0.88 HDAC6 (0.54) HDAC6POLBRAB9AATMSMN1; SMN2
SCHEMBL30425876 0.88 HDAC6 (0.54) HDAC6POLBRAB9AATMSMN1; SMN2
SCHEMBL26226169 0.87 HDAC6 (0.53) HDAC6POLBRAB9AATMSMN1; SMN2
SCHEMBL25386766 0.86 HDAC6 (0.46) HDAC6RAB9ASMN1; SMN2
SCHEMBL30425685 0.86 HDAC6 (0.46) HDAC6RAB9ASMN1; SMN2

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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