SCHEMBL874067

SCHEMBL874067

CN(C)CCOc1ccc(CCCCNC(=O)CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
HDAC3 O15379 2/20 0.47
ESR1 P03372 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL873884 0.89 ACACB (0.45) CYP2C19KCNH2LTA4H
SCHEMBL873835 0.82 KMT2A (0.47) LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL873597 0.82 POLB (0.47) POLBKMT2A
SCHEMBL874041 0.82 MAPK1 (0.39) LMNAKMT2AMAPK1SMN1; SMN2
SCHEMBL873481 0.79 HRH3 (0.51) HRH3ACHELTA4H
SCHEMBL21591853 0.78 ACACB (0.44) POLBKMT2A
SCHEMBL873719 0.77 POLB (0.50) HRH3POLBKMT2AMAPK1SMN1; SMN2
SCHEMBL936949 0.76 L3MBTL1 (0.61) HRH3HDAC3ESR1HDAC6NCOR2
SCHEMBL874265 0.75 TRPV1 (0.65) LMNAKMT2A
SCHEMBL23928111 0.74 HRH3 (0.62) HRH3KEAP1NFE2L2DRD2DRD3

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