SCHEMBL6637359

SCHEMBL6637359

CC(=O)OCc1cnccc1Cn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN1 Q05586 4/20 0.30
GRIN2B Q13224 4/20 0.30

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
SCHEMBL6640101 0.89 GRIN1 (0.33) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL6776520 0.86 KDM4E (0.34) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL6636874 0.83 SMN1; SMN2 (0.33) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL6640589 0.83 TDP1 (0.34) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL6636256 0.81 KDM4E (0.34) HSD17B10KDM4EALDH1A1
SCHEMBL6637345 0.80 GAA (0.39) KDM4EMEN1KMT2ATDP1
SCHEMBL6087076 0.80 GRIN1 (0.43) HSD17B10KDM4EALDH1A1MAPK1GRIN1
SCHEMBL10264966 0.79 KDM4E (0.32) KDM4EALDH1A1GRIN1GRIN2B
SCHEMBL6640392 0.78 ADRA1D (0.33) HSD17B10KDM4EALDH1A1TDP1
SCHEMBL12752189 0.77 ALDH1A1 (0.40) HSD17B10KDM4EALDH1A1MEN1KMT2A

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
EP-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed
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