SCHEMBL3556677

SCHEMBL3556677

Cn1ccnc1SCc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC2 Q92769 10/20 0.64
HDAC3 O15379 8/20 0.64
HDAC8 Q9BY41 7/20 0.64
HDAC6 Q9UBN7 7/20 0.64
PTK2 Q05397 3/20 0.64
NCOR1 O75376 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
HDAC4 P56524 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL3558366 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4977035 0.79 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3560644 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL20545558 0.77 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1066743 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4982506 0.75 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2733350 0.75 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1062267 0.75 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1079301 0.74 MAPT (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4979153 0.73 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed