SCHEMBL6415969

SCHEMBL6415969

NC(=O)c1cc2cc(OCC3CCOCC3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.47
PARP15 Q460N3 6/20 0.47
PARP2 Q9UGN5 2/20 0.47
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
IKBKE Q14164 2/20 0.42
TBK1 Q9UHD2 2/20 0.42
ACACB O00763 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
FLT3 P36888 1/20 0.41
SLC2A1 P11166 1/20 0.41
MCHR1 Q99705 1/20 0.40
CYP11B2 P19099 1/20 0.40
PRKDC P78527 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
SCHEMBL6416577 0.90 PIM1 (0.51) PARP10PARP15PARP2S1PR1S1PR3
SCHEMBL6415966 0.89 S1PR1 (0.44) PARP10PARP15PARP2S1PR1S1PR3
SCHEMBL6414487 0.81 IKBKE (0.48) PARP10IKBKETBK1FLT3
SCHEMBL10509157 0.81 ALDH1A1 (0.48) FLT3
SCHEMBL17338649 0.79 PARP10 (0.52) PARP10PARP15PARP2S1PR1S1PR3
SCHEMBL6414370 0.77 PIM1 (0.47) PARP10PARP15PARP2S1PR1S1PR3
SCHEMBL6418981 0.76 ITGB3 (0.53) PARP10PARP15PARP2
SCHEMBL6421510 0.76 CYP1A2 (0.53)
SCHEMBL29994768 0.76 ALDH1A1 (0.55) PARP10FLT3
SCHEMBL15623106 0.75 MAOB (0.53) S1PR1S1PR3FLT3

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-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed