SCHEMBL13400754

SCHEMBL13400754

CC1CCC(NC(=N)CCCS)CCC2CCC(NC(=N)CCCS)CCC12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL15000355 0.80 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18571426 0.74 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18571638 0.74 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL20669088 0.74 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL20835055 0.70 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22507711 0.64 — —
SCHEMBL18792990 0.64 — —
SCHEMBL23862923 0.64 — —
SCHEMBL24705819 0.62 — —
SCHEMBL9804119 0.61 SMN1; SMN2 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11

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
US-7691826-B2 Polysialic acid having a moiety linked at one or each terminal unit of a functional group of from N-maleimido, vinysulphone, N-iodoacetamide, and orthopyridyl disulphide; conjugation with protein or peptide having a cysteine to attach to the thiol;bioavailability; drug delivery LIPOXEN TECHNOLOGIES LIMITED (GB) 2010-04-06 — — US disclosed
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