SCHEMBL365113

SCHEMBL365113

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.37
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PDE4A P27815 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
SCHEMBL366815 0.90 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL366079 0.88 KDM4E (0.42) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL366750 0.87 PPARG (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL367690 0.87 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL365985 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL365114 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL366617 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL366850 0.77 MAPT (0.37) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL366530 0.77 CYP11B1 (0.35) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL366373 0.77 MAPT (0.37) ALDH1A1MEN1KMT2APOLBKDM4E

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed