SCHEMBL8260683

SCHEMBL8260683

O=C(NO)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(CN6CCOCC6)c5)cc4c3CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.47
HDAC1 Q13547 12/20 0.47
HDAC3 O15379 6/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
AOC3 Q16853 2/20 0.41
PARP1 P09874 1/20 0.41
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL2970520 0.96 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2979298 0.95 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8259812 0.92 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2980475 0.89 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2970457 0.88 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2980516 0.88 HDAC1 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2981054 0.88 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2979124 0.88 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2977824 0.87 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2981744 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed