SCHEMBL873597

SCHEMBL873597

COCOc1ccc(CCCCNC(=O)CC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.46
PTPN1 P18031 1/20 0.43
ACACB O00763 1/20 0.43
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
SCHEMBL6166319 0.91 POLB (0.54) POLBMAPTPTPN1ACACB
SCHEMBL873835 0.85 KMT2A (0.47) POLBMAPTKMT2A
SCHEMBL21591853 0.83 ACACB (0.44) POLBMAPTACACBKMT2A
SCHEMBL874067 0.82 HRH3 (0.50) POLBKMT2A
SCHEMBL873884 0.81 ACACB (0.45) ACACB
SCHEMBL873481 0.78 HRH3 (0.51)
SCHEMBL874265 0.77 TRPV1 (0.65) KMT2A
SCHEMBL874041 0.76 MAPK1 (0.39) KMT2A
SCHEMBL873719 0.75 POLB (0.50) POLBACACBKMT2A
SCHEMBL8606832 0.75 POLB (0.56) POLBMAPT

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