SCHEMBL14802146

SCHEMBL14802146

CP(=O)(OCc1ccccc1)Oc1ccc2c(=O)c3c(O)cc(N4CCOCC4)cc3oc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.47
MAOA P21397 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5454450 0.92 PRKDC (0.48) PRKDCMAOAPOLBALDH1A1LMNA
SCHEMBL14802153 0.86 PRKDC (0.61) PRKDCPOLB
SCHEMBL5440522 0.85 PRKDC (0.48) PRKDCPOLBALDH1A1LMNAGAA
SCHEMBL14802150 0.84 PRKDC (0.48) PRKDCMAOAALDH1A1GAAMAPT
SCHEMBL14447675 0.82 PRKDC (0.49) PRKDCMAOAALDH1A1GAAMAPT
SCHEMBL14468611 0.81 PRKDC (0.43) PRKDC
SCHEMBL14802154 0.80 PRKDC (0.46) PRKDC
SCHEMBL5454455 0.80 PRKDC (0.44) PRKDCMAOAPOLBGAA
SCHEMBL5444190 0.79 PRKDC (0.56) PRKDCMAOAGAAMAPTL3MBTL1
SCHEMBL5448696 0.78 PRKDC (0.61) PRKDCCA12

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