SCHEMBL2425678

SCHEMBL2425678

CC(C)(CCN)OC(=O)C1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A1 P30531 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SLC6A11 P48066 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
NOS2 P35228 1/20 0.41
CD274 Q9NZQ7 1/20 0.36
ALOX15 P16050 1/20 0.34
CDK9 P50750 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ULK1 O75385 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7830312 0.91 KDM4E (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL17732326 0.91 KDM4E (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL17712561 0.91 KDM4E (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL658030 0.89 KDM4E (0.50) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL691260 0.89 KDM4E (0.50) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL660798 0.89 KDM4E (0.50) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6586194 0.84 SLC6A1 (0.49) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2423420 0.83 GABRP (0.38) KMT2ACYP2D6SMN1; SMN2TSHRNOS2
SCHEMBL659836 0.81 MAPT (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL661356 0.81 MAPT (0.38) KDM4EMAPTKMT2AATMCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364087-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-09-14 EP disclosed
WO-2010051085-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-06 WO disclosed
EP-1615930-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA, Inc. (US) 2006-01-18 EP disclosed
WO-2004092170-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGON ISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO disclosed