SCHEMBL6885131

SCHEMBL6885131

CS(=O)(=O)c1cc(F)ccc1-c1nc(C(=O)NCc2ccc(F)cc2)c(CO)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
EGLN1 Q9GZT9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NAMPT P43490 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SPR P35270 1/20 0.37
LMNA P02545 1/20 0.37
PTGES O14684 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6878304 0.91 PTGES (0.42) ERCC1FEN1ERCC4ADORA1PTGES
SCHEMBL6018618 0.90 PTGES (0.40) ERCC1FEN1ERCC4PTGES
SCHEMBL6651068 0.78 ERCC1 (0.52) ERCC1FEN1ERCC4EGLN1SMN1; SMN2
SCHEMBL6884591 0.76 ERCC1 (0.50) ERCC1FEN1ERCC4EGLN1TDP1
SCHEMBL6649380 0.76 ERCC1 (0.54) ERCC1FEN1ERCC4EGLN1SMN1; SMN2
SCHEMBL6883227 0.75 ERCC1 (0.47) ERCC1FEN1ERCC4EGLN1SMN1; SMN2
SCHEMBL6883233 0.73 ATM (0.39) ERCC1FEN1ERCC4ALDH1A1
SCHEMBL6017883 0.73 KCNE1 (0.52) ERCC1FEN1ERCC4TDP1SMN1; SMN2
SCHEMBL7156067 0.73 ERCC1 (0.47) ERCC1FEN1ERCC4EGLN1SMN1; SMN2
SCHEMBL6883711 0.73 NAMPT (0.35) ERCC1FEN1ERCC4SMN1; SMN2NAMPT

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 disclosed