SCHEMBL5734211

SCHEMBL5734211

NC(=O)c1ccc2c(c1)nnn2N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MGLL Q99685 2/20 0.52
FAAH O00519 1/20 0.52
F2 P00734 3/20 0.49
HDAC6 Q9UBN7 2/20 0.48
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
PARP14 Q460N5 1/20 0.45
HCAR3 P49019 1/20 0.44
NAMPT P43490 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5372863 0.81 F2 (0.59) GAAMGLLFAAHF2HDAC6
SCHEMBL5203573 0.76 F2 (0.57) GAAMGLLF2HDAC6TNKS
SCHEMBL7376188 0.74 GAA (0.53) GAAMGLLF2HDAC6TNKS
SCHEMBL5733657 0.74 GAA (0.55) GAAF2TNKSPARP1PARP14
SCHEMBL7373276 0.73 GAA (0.51) GAAMGLLF2HDAC6TNKS
SCHEMBL1063457 0.72 MGLL (0.61) GAAMGLLFAAHHCAR3CA12
SCHEMBL5372866 0.72 GAA (0.52) GAAF2HDAC6MEN1KMT2A
SCHEMBL6429862 0.71 GAA (0.60) GAAF2TNKSPARP1PARP14
SCHEMBL14523154 0.70 ALDH1A1 (0.45) GAAMGLLFAAHMEN1KMT2A
SCHEMBL6428994 0.70 GAA (0.70) GAACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed