SCHEMBL6776520

SCHEMBL6776520

CC(=O)OCc1cncc(C)c1Cn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6636256 0.94 KDM4E (0.34) KDM4EHSD17B10ALDH1A1
SCHEMBL6634062 0.89 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL6637359 0.86 HSD17B10 (0.34) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6643127 0.83
SCHEMBL12752189 0.77 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6640101 0.77 GRIN1 (0.33) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6088109 0.76 KMT2A (0.37) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6636876 0.75 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL10204282 0.75 KMT2A (0.36) MEN1KMT2ATDP1
SCHEMBL6637345 0.75 GAA (0.39) KDM4EMEN1KMT2ATDP1

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
US-6713486-B1 HIGH ACTIVITY AGAINST WILD-TYPE AND MUTANT HIV-1; LOW TOXICITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-03-30 US disclosed