SCHEMBL874038

SCHEMBL874038

O=C(/C=C/c1cccc(Br)n1)NCCCCc1ccc(OCCOCCOCCN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NDUFS8 O00217 1/20 0.37
COXFA4 O00483 1/20 0.37

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
SCHEMBL873684 0.83 USP9X (0.49) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL864620 0.77 USP9X (0.44) ALDH1A1SMN1; SMN2HTT
SCHEMBL1934969 0.72 MMP1 (0.60) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL874041 0.72 MAPK1 (0.39) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL874538 0.70 MEN1 (0.47) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL873551 0.69 RECQL (0.41) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL873696 0.68 USP9X (0.52) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL10125036 0.68 USP9X (0.40) ALDH1A1HTT
SCHEMBL874558 0.67 USP9X (0.51) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL20171512 0.66 USP9X (0.44) LMNAALDH1A1SMN1; SMN2HTT

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-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed