SCHEMBL31535159

SCHEMBL31535159

Cc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.57
▸ KDR P35968 4/20 0.50
▸ TEK Q02763 4/20 0.49
▸ EPHB4 P54760 1/20 0.49
▸ HDAC1 Q13547 6/20 0.47
▸ ROCK2 O75116 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL25350687 1.00 HDAC6 (0.57) HDAC6KDRTEKEPHB4HDAC1
SCHEMBL31535160 0.90 HDAC6 (0.57) HDAC6HDAC1ROCK2GSK3BAURKB
SCHEMBL25349454 0.90 HDAC6 (0.57) HDAC6HDAC1ROCK2GSK3BAURKB
SCHEMBL25349267 0.89 HDAC6 (0.56) HDAC6HDAC1
SCHEMBL25351832 0.89 HDAC6 (0.55) HDAC6KDRTEKEPHB4HDAC1
SCHEMBL31535162 0.89 HDAC6 (0.55) HDAC6KDRTEKEPHB4HDAC1
SCHEMBL24599274 0.89 HDAC6 (0.73) HDAC6KDRTEKEPHB4
SCHEMBL25355252 0.89 HDAC6 (0.52) HDAC6KDRTEKEPHB4HDAC1
SCHEMBL22557712 0.89 HDAC6 (0.70) HDAC6KDRTEKEPHB4HDAC1
SCHEMBL24215833 0.89 HDAC6 (0.56) HDAC6KDRTEKEPHB4HDAC1

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 1 patent. 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
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