SCHEMBL5369583

SCHEMBL5369583

NC(=O)c1ccc2cc(N3CCC(Cc4ccccc4)CC3)n(C(=O)c3cccnc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
F2 P00734 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.41
ACHE P22303 1/20 0.41
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL5365920 0.84 MEN1 (0.47) HDAC6ACHEMEN1KMT2A
SCHEMBL5374499 0.84 MEN1 (0.41) GAACA12CA1CA2CA9
SCHEMBL5732389 0.77 GAA (0.50) GAAHDAC6F2TNKSPARP1
SCHEMBL5732388 0.76 GAA (0.49) GAAHDAC6F2TNKSPARP1
SCHEMBL7073760 0.76 SIGMAR1 (0.47) GAAHDAC6F2ACHESMN1; SMN2
SCHEMBL14559843 0.74 MGLL (0.53) GAACA12CA1CA2CA9
SCHEMBL5368021 0.73 GAA (0.48) GAAHDAC6F2TNKSPARP1
SCHEMBL5371447 0.73 HDAC6 (0.55) GAAHDAC6F2TNKSPARP1
SCHEMBL5375990 0.72 GAA (0.51) GAAHDAC6F2TNKSPARP1
SCHEMBL5374870 0.72 GAA (0.51) GAAHDAC6F2TNKSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed