SCHEMBL6640101

SCHEMBL6640101

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccncc2CO)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.33
GRIN2B Q13224 7/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 2/20 0.30
TSHR P16473 1/20 0.30
DDR1 Q08345 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 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
SCHEMBL6637359 0.89 HSD17B10 (0.34) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL6640589 0.88 TDP1 (0.34) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL6636874 0.86 SMN1; SMN2 (0.33) TLR7GAAMEN1KMT2ATDP1
SCHEMBL6637345 0.85 GAA (0.39) TLR7GAAMEN1KMT2ATDP1
SCHEMBL6634062 0.85 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL6087076 0.84 GRIN1 (0.43) GRIN1GRIN2BTLR7KDM4EALDH1A1
SCHEMBL10264966 0.83 KDM4E (0.32) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL6640392 0.82 ADRA1D (0.33) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14292833 0.82 KDM4E (0.31) GRIN1GRIN2BKDM4EALDH1A1HPGD
SCHEMBL14293251 0.82 GRIN1 (0.33) GRIN1GRIN2BKDM4EALDH1A1HPGD

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