SCHEMBL3457067

SCHEMBL3457067

CCn1c2ccccc2c2cc(N)cc(OC(C)=O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
HBB P68871 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.45
LMNA P02545 4/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6809164 0.84 KDM4E (0.59) KDM4EMAPTALDH1A1MAPK1HPGD
SCHEMBL4905343 0.74 KDM4E (0.44) KDM4EMAPTALDH1A1MAPK1HPGD
Acetic Acid SCHEMBL3457064 0.73 KDM4E (0.82) KDM4EMAPTALDH1A1MAPK1HPGD
SCHEMBL27635351 0.69 HTT (0.51) KDM4EMAPTALDH1A1MAPK1HPGD
Hydrogen Peroxide SCHEMBL6662236 0.69 KDM4E (0.93) KDM4EMAPTALDH1A1MAPK1HPGD
SCHEMBL9519260 0.69 CYP19A1 (0.51) KDM4EMAPTALDH1A1MAPK1HSD17B10
SCHEMBL29357684 0.69 MAPT (1.00) KDM4EMAPTALDH1A1MAPK1HPGD
SCHEMBL37700 0.69 MAPT (1.00) KDM4EMAPTALDH1A1MAPK1HPGD
Succinamide SCHEMBL9208547 0.69 KDM4E (0.78) KDM4EMAPTALDH1A1MAPK1HPGD
SCHEMBL15466849 0.68 TP53 (0.47) KDM4EMAPTALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260862-B1 Compositions and methods for treating tumors presenting survivin antigens MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
EP-2260862-A1 Compositions and methods for treating tumors presenting survivin antigens Merck Patent GmbH (DE) 2010-12-15 EP disclosed
EP-1931376-A2 COMPOSITIONS AND METHODS FOR TREATING TUMORS PRESENTING SURVIVIN ANTIGENS Merck Patent GmbH (DE) 2008-06-18 EP disclosed
US-20070104689-A1 Compositions and methods for treating tumors presenting survivin antigens MERCK PATENT GMBH (DE) 2007-05-10 US disclosed
WO-2007039192-A2 COMPOSITIONS AND METHODS FOR TREATING TUMORS PRESENTING SURVIVIN ANTIGENS MERCK PATENT GMBH (DE) 2007-04-12 WO disclosed