SCHEMBL31535160

SCHEMBL31535160

Fc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.57
▸ ROCK2 O75116 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ HDAC1 Q13547 2/20 0.41

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
SCHEMBL25349454 1.00 HDAC6 (0.57) HDAC6ROCK2PIM1GSK3BAURKB
SCHEMBL29402329 0.92 HDAC6 (0.54) HDAC6HDAC1
SCHEMBL22557792 0.92 HDAC6 (0.54) HDAC6HDAC1
SCHEMBL25349267 0.91 HDAC6 (0.56) HDAC6HDAC1
SCHEMBL25350687 0.90 HDAC6 (0.57) HDAC6ROCK2GSK3BAURKBHDAC1
SCHEMBL22557712 0.90 HDAC6 (0.70) HDAC6HDAC1
SCHEMBL31535159 0.90 HDAC6 (0.57) HDAC6ROCK2GSK3BAURKBHDAC1
SCHEMBL24215833 0.90 HDAC6 (0.56) HDAC6HDAC1
SCHEMBL29402321 0.90 HDAC6 (0.70) HDAC6HDAC1
SCHEMBL30409985 0.90 HDAC6 (0.56) HDAC6HDAC1

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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