SCHEMBL31535166

SCHEMBL31535166

CN1CCN(c2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.51
▸ CDC7 O00311 1/20 0.47
▸ TEK Q02763 8/20 0.45
▸ KDR P35968 7/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ ALK Q9UM73 1/20 0.42
▸ EPHB4 P54760 3/20 0.42
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL24216393 1.00 HDAC6 (0.51) HDAC6CDC7TEKKDRHDAC1
SCHEMBL25353260 0.91 HDAC6 (0.50) HDAC6CDC7TEKKDRHDAC1
SCHEMBL24216687 0.91 HDAC6 (0.51) HDAC6CDC7TEKKDRHDAC1
SCHEMBL30409410 0.91 HDAC6 (0.51) HDAC6CDC7TEKKDRHDAC1
SCHEMBL25355437 0.91 HDAC6 (0.52) HDAC6CDC7TEKKDRHDAC1
SCHEMBL25351724 0.89 HDAC6 (0.53) HDAC6CDC7TEKKDRHDAC1
SCHEMBL24215954 0.89 HDAC6 (0.49) HDAC6CDC7TEKKDRHDAC1
SCHEMBL25351443 0.88 HDAC1 (0.49) HDAC6CDC7HDAC1
SCHEMBL24216153 0.88 HDAC6 (0.53) HDAC6CDC7HDAC1
SCHEMBL25348315 0.88 HDAC6 (0.51) HDAC6TEKKDRHDAC1EPHB4

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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