SCHEMBL5801743

SCHEMBL5801743

O=c1c2ccccc2[nH]c2cc(N3CCOCC3)cc(OP(=O)(O)OC(Cc3ccccc3)c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.42
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ATM Q13315 4/20 0.33
PIK3C3 Q8NEB9 3/20 0.33
IMPDH2 P12268 1/20 0.33
PDE7A Q13946 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL14447679 0.81 ALDH1A1 (0.45) PRKDCKIF11KDM4EALDH1A1MEN1
SCHEMBL5451022 0.81 PRKDC (0.37) PRKDCKDM4EATM
SCHEMBL5448690 0.80 PRKDC (0.45) PRKDCKIF11KDM4EPIK3CG
SCHEMBL5801741 0.80 KIF11 (0.44) PRKDCKIF11KDM4EALDH1A1MEN1
SCHEMBL5454455 0.77 PRKDC (0.44) PRKDC
SCHEMBL5440644 0.72 PRKDC (0.55) PRKDCKIF11KDM4EALDH1A1MEN1
SCHEMBL14802149 0.72 KDM4E (0.47) PRKDCKIF11KDM4EALDH1A1MEN1
SCHEMBL5440528 0.71 PRKDC (0.42) PRKDC
SCHEMBL28746406 0.67 ACP3 (0.56)
SCHEMBL5459622 0.60 PRKDC (0.45) PRKDCKIF11MAPTPIK3CGPIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
EP-1660473-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS Luitpold Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed