SCHEMBL6882673

SCHEMBL6882673

Cc1ccc(CN(C)C(=O)c2nc(-c3ccncc3)[nH]c(=O)c2O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 4/20 0.42
FEN1 P39748 4/20 0.42
ERCC4 Q92889 4/20 0.42
PIN1 Q13526 2/20 0.42
RNASEH1 O60930 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6884051 0.92 RNASEH1 (0.46) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6877025 0.91 PIN1 (0.53) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6884690 0.91 PIN1 (0.44) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6883344 0.89 PIN1 (0.43) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6883326 0.84 ALDH1A1 (0.44) PIN1RNASEH1KDM4EALDH1A1HPGD
SCHEMBL6885510 0.83 PIN1 (0.54) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6883616 0.83 PIN1 (0.40) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6886274 0.83 ALOX5 (0.49) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6883865 0.82 PIN1 (0.40) ERCC1FEN1ERCC4PIN1RNASEH1
SCHEMBL6883723 0.82 RNASEH1 (0.38) ERCC1FEN1ERCC4PIN1RNASEH1

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-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO claimed