SCHEMBL30460381

SCHEMBL30460381

CN1CCN(c2cc(F)ccc2-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)nn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.47
▸ HDAC1 Q13547 6/20 0.44
▸ ALK Q9UM73 1/20 0.41
▸ CDC7 O00311 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ PTGS2 P35354 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL25350328 0.86 HDAC6 (0.47) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL24216706 0.86 HDAC6 (0.51) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL30410124 0.86 HDAC6 (0.51) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL24216316 0.84 HDAC1 (0.47) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL24216393 0.81 HDAC6 (0.51) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL31535166 0.81 HDAC6 (0.51) HDAC6HDAC1ALKCDC7EPHB4
SCHEMBL25351764 0.81 HDAC6 (0.61) HDAC6HDAC1CDC7EPHB4KDR
SCHEMBL25352540 0.79 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL25993121 0.78 HDAC6 (0.48) HDAC6HDAC1EPHB4KDRTEK
SCHEMBL25217353 0.78 HDAC6 (0.52) HDAC6CDC7EPHB4KDRTEK

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 2 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
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
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