SCHEMBL6636256

SCHEMBL6636256

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6776520 0.94 KDM4E (0.34) KDM4EHSD17B10ALDH1A1
SCHEMBL6643127 0.90
SCHEMBL6634062 0.84 MEN1 (0.32)
SCHEMBL6637359 0.81 HSD17B10 (0.34) KDM4EHSD17B10ALDH1A1
SCHEMBL6641935 0.77
SCHEMBL12752165 0.76 KMT2A (0.35) KDM4EALDH1A1
SCHEMBL6640392 0.75 ADRA1D (0.33) KDM4EHSD17B10ALDH1A1
SCHEMBL501388 0.74 P2RX3 (0.34) KDM4EHSD17B10ALDH1A1
SCHEMBL6086806 0.74 KMT2A (0.34) KDM4EHSD17B10ALDH1A1
SCHEMBL12752207 0.74 KMT2A (0.35) KDM4EHSD17B10ALDH1A1

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