SCHEMBL4907661

SCHEMBL4907661

COc1cc(NC(=O)Nc2ccc3c(c2)CN(C(=O)C([AsH2])Cc2ccc(Cl)cc2Cl)C3)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IDH1 O75874 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NAMPT P43490 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
UGCG Q16739 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4907655 1.00 HDAC8 (0.58) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4909844 0.90 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4909860 0.90 HDAC8 (0.74) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4882090 0.80 HDAC8 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4882084 0.80 HDAC8 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4793549 0.79 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4793542 0.79 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779184 0.79 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4908329 0.79 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4792642 0.78 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed