SCHEMBL10069604

SCHEMBL10069604

CC(C)c1c(-c2cccs2)n(COCc2ccccc2)c(=O)n(O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.38
FEN1 P39748 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
ALDH1A1 P00352 10/20 0.35
CYP1A2 P05177 4/20 0.35
CASP1 P29466 4/20 0.35
CASP7 P55210 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HIF1A Q16665 3/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
PPARG P37231 2/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CYP3A4 P08684 2/20 0.35
ELANE P08246 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
SCHEMBL10069628 0.91 ALDH1A1 (0.35) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL10069590 0.85 ALDH1A1 (0.39) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069615 0.84 ERCC5 (0.39) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069594 0.80 MAPT (0.38) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069601 0.80 ALDH1A1 (0.36) ERCC5FEN1ALDH1A1CYP1A2CASP1
SCHEMBL10069595 0.80 ALDH1A1 (0.38) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069616 0.79 ALDH1A1 (0.36) ERCC5FEN1ALDH1A1CASP1HSD17B10
SCHEMBL10069591 0.79 ESR1 (0.35) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069620 0.78 MAPK1 (0.36) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL10069606 0.78 ALDH1A1 (0.37) ERCC5FEN1ALDH1A1POLBPPARG

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-2012047993-A2 N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-04-12 WO disclosed