SCHEMBL14802145

SCHEMBL14802145

CC(=O)C1CCN(c2ccc3c(=O)c4c(O)cc(N5CCOCC5)cc4oc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.47
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
SLC16A3 O15427 1/20 0.40
LGMN Q99538 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MMP12 P39900 1/20 0.38
USP8 P40818 1/20 0.38

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
SCHEMBL5783171 0.92 PRKDC (0.49) PRKDCMAPTPKMALDH1A1PIK3CD
SCHEMBL5440744 0.91 MAPT (0.52) PRKDCMAPTPKMALDH1A1PIK3CD
SCHEMBL5441394 0.85 PRKDC (0.50) PRKDCMAPTPKMPIK3CDPIK3CA
SCHEMBL14802143 0.83 PRKDC (0.52) PRKDCMAPTPKMPIK3CDPIK3CA
SCHEMBL5440694 0.82 PRKDC (0.55) PRKDCMAPTALDH1A1KDM4EMGAM
SCHEMBL5782473 0.82 PRKDC (0.49) PRKDCMAPTPKMALDH1A1KDM4E
SCHEMBL5781920 0.82 PRKDC (0.53) PRKDCMAPTPKMPIK3CDPIK3CA
SCHEMBL5453418 0.81 PRKDC (0.52) PRKDCMAPTPKMPIK3CDPIK3CA
SCHEMBL5444190 0.80 PRKDC (0.56) PRKDCMAPTMGAMGAAUSP8
SCHEMBL14802144 0.79 ALDH1A1 (0.47) PRKDCMAPTALDH1A1KDM4EGAA

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
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed