SCHEMBL30425784

SCHEMBL30425784

O=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)c(F)c3)nn2)c1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ KDR P35968 2/20 0.42
▸ UCHL5 Q9Y5K5 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ ACHE P22303 1/20 0.38
▸ SIRT2 Q8IXJ6 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
SCHEMBL25224822 1.00 NAMPT (0.46) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL26226766 0.91 NAMPT (0.53) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL30424934 0.90 NAMPT (0.41) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL25216741 0.90 NAMPT (0.41) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL30425549 0.89 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL25254679 0.89 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL25245976 0.88 NAMPT (0.41) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL30425644 0.88 NAMPT (0.41) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL25219133 0.87 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL30424989 0.87 NAMPT (0.43) NAMPTHDAC6HDAC3HDAC1HDAC2

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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