SCHEMBL8248130

SCHEMBL8248130

O=C(/C=C/c1ccc2c(c1)c(CN1CCCC1)cn2CCc1ccccc1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.56
▸ HDAC8 Q9BY41 13/20 0.56
▸ HDAC2 Q92769 7/20 0.56
▸ HDAC11 Q96DB2 7/20 0.56
▸ HDAC6 Q9UBN7 7/20 0.56
▸ HDAC3 O15379 6/20 0.56
▸ HDAC4 P56524 6/20 0.56
▸ HDAC10 Q969S8 6/20 0.56
▸ HDAC9 Q9UKV0 6/20 0.56
▸ HDAC5 Q9UQL6 6/20 0.56
▸ APP P05067 1/20 0.52
▸ HDAC7 Q8WUI4 4/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ CACNB4 O00305 1/20 0.48
▸ CACNA1A O00555 1/20 0.48
▸ CACNA1G O43497 1/20 0.48
▸ CACNG3 O60359 1/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ CACNA1H O95180 1/20 0.48
▸ CACNB3 P54284 1/20 0.48

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
SCHEMBL8256234 0.89 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8248135 0.76 HDAC1 (0.52) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL30887590 0.75 HDAC1 (0.63) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8256889 0.75 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8255178 0.75 HDAC1 (0.53) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL27891512 0.74 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL30887575 0.74 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8254835 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8257577 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL8256750 0.72 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC11HDAC6

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
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