SCHEMBL30425231

SCHEMBL30425231

NC(=S)Nc1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.46
▸ HDAC3 O15379 5/20 0.41
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ UCHL5 Q9Y5K5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CA5A P35218 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ PRSS12 P56730 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 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
SCHEMBL25252848 1.00 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25262079 0.88 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25267677 0.88 UCHL5 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30424907 0.88 UCHL5 (0.51) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL26226636 0.86 CYP3A4 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL29022633 0.86 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25267008 0.85 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30425120 0.85 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL29022608 0.85 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL25254679 0.84 NAMPT (0.43) HDAC6HDAC3HDAC1HDAC2HDAC10

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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