SCHEMBL8260682

SCHEMBL8260682

O=C(NO)c1cnc(N2CCc3[nH]c4ccccc4c3CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.57
HDAC1 Q13547 12/20 0.57
HDAC3 O15379 8/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC8 Q9BY41 8/20 0.51
NCOR2 Q9Y618 1/20 0.51
HDAC4 P56524 7/20 0.48
HDAC7 Q8WUI4 7/20 0.48
HDAC10 Q969S8 7/20 0.48
HDAC11 Q96DB2 7/20 0.48
HDAC9 Q9UKV0 7/20 0.48
HDAC5 Q9UQL6 7/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
KDM1A O60341 1/20 0.44

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
SCHEMBL2970539 0.93 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2975525 0.93 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2980457 0.88 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8262126 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8259923 0.83 HDAC1 (0.59) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2968964 0.82 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2970427 0.81 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2978826 0.81 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2972615 0.81 GBA1 (0.53) HDAC6HDAC1
SCHEMBL2979006 0.80 BAZ2B (0.55) 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