SCHEMBL30460243

SCHEMBL30460243

CCC(=O)N1CCN(c2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.48
▸ HDAC1 Q13547 2/20 0.44
▸ NAMPT P43490 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ TEK Q02763 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL25351106 1.00 HDAC6 (0.48) HDAC6HDAC1NAMPTALOX15HSD17B10
SCHEMBL25351613 0.89 HDAC6 (0.47) HDAC6HDAC1MAPT
SCHEMBL30460299 0.89 HDAC1 (0.54) HDAC6HDAC1
SCHEMBL24215983 0.89 HDAC1 (0.54) HDAC6HDAC1
SCHEMBL25351277 0.88 HDAC6 (0.46) HDAC6NAMPTKDRTEK
SCHEMBL30460238 0.88 HDAC6 (0.46) HDAC6NAMPTKDRTEK
SCHEMBL24216687 0.88 HDAC6 (0.51) HDAC6HDAC1KMT2AKDRTEK
SCHEMBL30409410 0.88 HDAC6 (0.51) HDAC6HDAC1KMT2AKDRTEK
SCHEMBL31535166 0.88 HDAC6 (0.51) HDAC6HDAC1NAMPTKDRTEK
SCHEMBL24216393 0.88 HDAC6 (0.51) HDAC6HDAC1NAMPTKDRTEK

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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