SCHEMBL873835

SCHEMBL873835

COCCOc1ccc(CCCNC(=O)CC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL873597 0.85 POLB (0.47) KMT2APOLBMAPT
SCHEMBL874067 0.82 HRH3 (0.50) KMT2APOLBLMNASMN1; SMN2
SCHEMBL6166319 0.81 POLB (0.54) HPGDPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL873884 0.81 ACACB (0.45) ALDH1A1
SCHEMBL874041 0.78 MAPK1 (0.39) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8606832 0.78 POLB (0.56) POLBMAPTSMN1; SMN2
SCHEMBL873481 0.78 HRH3 (0.51)
SCHEMBL21591853 0.76 ACACB (0.44) KMT2AHPGDPOLBMAPTALDH1A1
SCHEMBL2263117 0.76 L3MBTL1 (0.68) KMT2AHPGDPOLBKDM4ELMNA
SCHEMBL10428327 0.75 TSHR (0.61) KMT2AMEN1HPGDPOLBMAPT

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