SCHEMBL8253749

SCHEMBL8253749

C=C(/C=C/c1cnc2c(c1)nc(CCc1ccccc1)n2CCCO)NO

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.61
▸ HDAC8 Q9BY41 12/20 0.61

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
SCHEMBL8256495 0.85 HDAC1 (0.63) HDAC1HDAC8
SCHEMBL8253751 0.78 HDAC1 (0.73) HDAC1HDAC8
SCHEMBL8257306 0.76 HDAC1 (0.77) HDAC1HDAC8
SCHEMBL3369062 0.76 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3369058 0.76 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL8258947 0.72 HDAC1 (0.60) HDAC1HDAC8
SCHEMBL3372830 0.72 HDAC1 (0.93) HDAC1HDAC8
SCHEMBL3372833 0.72 HDAC1 (0.93) HDAC1HDAC8
SCHEMBL8289364 0.72 HDAC1 (0.82) HDAC1HDAC8
SCHEMBL3369380 0.69 HDAC1 (1.00) HDAC1HDAC8

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
WO-2006101456-A1 BICYCLIC HETEROCYCLES HYDROXAMATE COMPOUNDS USEFUL AS HISTONE DEACETYLASE (HDAC) INHIBITORS S*BIO PTE LTD (SG) 2006-09-28 — — WO disclosed
Send feedback