SCHEMBL30460258

SCHEMBL30460258

Fc1cc(-c2nnc(C(F)F)o2)cnc1Cn1cc(-c2ccc(CN3CCCC3)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.48
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ KDR P35968 2/20 0.37
▸ EPHB4 P54760 2/20 0.37
▸ TEK Q02763 1/20 0.37

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
SCHEMBL24216144 1.00 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2KDR
SCHEMBL30409874 0.98 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2KDR
SCHEMBL24215810 0.98 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2KDR
SCHEMBL25351572 0.91 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2KDR
SCHEMBL25350111 0.91 HDAC6 (0.47) HDAC6HDAC1KDREPHB4TEK
SCHEMBL25350263 0.91 LRRK2 (0.40) HDAC6HDAC1HDAC3HDAC2
SCHEMBL25356167 0.90 LRRK2 (0.42) HDAC6HDAC1
SCHEMBL25348179 0.90 HDAC6 (0.41) HDAC6HDAC1
SCHEMBL24216889 0.90 HDAC6 (0.40) HDAC6
SCHEMBL25350086 0.90 LRRK2 (0.41) 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
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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