SCHEMBL13833787

SCHEMBL13833787

Cc1cn(CCC(=O)O)c(=O)n(CCCCn2c(=O)c(C)cn(CCC(=O)O)c2=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CMA1 P23946 2/20 0.39
CREBBP Q92793 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KMO O15229 1/20 0.38
MCL1 Q07820 1/20 0.38
APEX1 P27695 1/20 0.38
CTSG P08311 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL13833769 0.86 PDE4A (0.40) KDM4EMEN1KMT2A
SCHEMBL13833765 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9120180 0.83 PDE4A (0.48) MAPTKMT2A
SCHEMBL13833770 0.82 MEN1 (0.54) CREBBPMEN1KMT2A
SCHEMBL8026931 0.73 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27386680 0.73 GRIN2D (0.40) KDM4EALDH1A1MAPTPOLBMCL1
SCHEMBL9123408 0.72 PDE4A (0.52) MAPT
SCHEMBL24666582 0.71 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL17870783 0.71 KDM4E (0.38) KDM4EALDH1A1MAPTPOLB
SCHEMBL13833766 0.69 MEN1 (0.55) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012149604-A1 BIS-THYMINE DERIVATIVES AND PHOTO-REVERSIBLE POLYMERS THEREOF MONASH UNIVERSITY (AU) 2012-11-08 WO disclosed