SCHEMBL7954060

SCHEMBL7954060

Cc1cccc(N2C[C@H]3C2CN3c2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC1 Q13547 4/20 0.45
GFER P55789 2/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL14780864 1.00 HDAC6 (0.51) HDAC6HDAC8HDAC1GFERMAPT
SCHEMBL1366277 0.87 HDAC6 (0.49) HDAC6HDAC8HDAC1GFERMAPT
SCHEMBL1367688 0.87 HDAC6 (0.49) HDAC6HDAC8HDAC1GFERMAPT
SCHEMBL1364785 0.87 HDAC6 (0.49) HDAC6HDAC8HDAC1GFERMAPT
SCHEMBL16302074 0.86 HDAC6 (0.62) HDAC6HDAC8HDAC1GFERMAPT
SCHEMBL16302085 0.85 HDAC1 (0.51) HDAC6HDAC8HDAC1MAPTLMNA
SCHEMBL12460163 0.85 HDAC1 (0.51) HDAC6HDAC8HDAC1MAPTLMNA
SCHEMBL16581065 0.84 HDAC6 (0.47) HDAC6HDAC8HDAC1GFERSMN1; SMN2
SCHEMBL16302069 0.84 HDAC6 (0.47) HDAC6HDAC8HDAC1GFERSMN1; SMN2
SCHEMBL12428589 0.80 TDP1 (0.50) LMNASMN1; SMN2NPC1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed