SCHEMBL8305151

SCHEMBL8305151

O=C(CCOCc1ccccc1)OCc1ccc2c(c1)-c1n[nH]c(=O)c3cccc(c13)O2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.54
PIM1 P11309 1/20 0.52
CSNK1D P48730 1/20 0.52

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
SCHEMBL8307324 0.83 KDM4E (0.40) PARP1PIM1CSNK1D
SCHEMBL51055 0.79 PARP1 (0.60) PARP1PIM1CSNK1D
SCHEMBL51550 0.78 PARP1 (0.66) PARP1PIM1CSNK1D
SCHEMBL61142 0.75 PARP1 (0.62) PARP1PIM1CSNK1D
SCHEMBL14213059 0.73 PARP1 (0.62) PARP1PIM1CSNK1D
SCHEMBL62110 0.73 PARP1 (0.58) PARP1PIM1CSNK1D
SCHEMBL12658473 0.72 PARP1 (0.69) PARP1PIM1CSNK1D
SCHEMBL14336605 0.72 PARP1 (0.60) PARP1PIM1CSNK1D
SCHEMBL51477 0.71 PARP1 (0.61) PARP1PIM1CSNK1D
SCHEMBL13647432 0.71 PARP1 (0.58) PARP1PIM1CSNK1D

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-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 WO disclosed