SCHEMBL4076375

SCHEMBL4076375

O=C(NO)c1cnc(N2CC3CC2(C2CCCC2)CN3C(=O)O)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.41
HDAC3 O15379 18/20 0.41
HDAC1 Q13547 18/20 0.41
HDAC2 Q92769 18/20 0.41
HDAC4 P56524 12/20 0.41
HDAC7 Q8WUI4 12/20 0.41
HDAC10 Q969S8 12/20 0.41
HDAC11 Q96DB2 12/20 0.41
HDAC8 Q9BY41 12/20 0.41
HDAC9 Q9UKV0 12/20 0.41
HDAC5 Q9UQL6 12/20 0.41
KDM1A O60341 1/20 0.35

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
SCHEMBL4308547 0.78 HDAC3 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4306176 0.78 HDAC3 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL4309821 0.76 HDAC3 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL16566459 0.70 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1365585 0.69 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1366117 0.67 HDAC1 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL2143881 0.63 HDAC3 (0.40) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1368270 0.63 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL11963004 0.63 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL1366004 0.63 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed
EP-2049483-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-04-22 EP claimed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO claimed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
EP-2691099-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION Envivo Pharmaceuticals, Inc. (US) 2014-02-05 EP disclosed
WO-2012135097-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION ENVIVO PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-2049483-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-04-22 EP disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed