SCHEMBL6472151

SCHEMBL6472151

NC(=O)c1ccc(Cc2c[nH]c(=O)c(Br)c2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
PARP1 P09874 1/20 0.43
PNP P00491 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DPYD Q12882 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAOB P27338 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
SCHEMBL6472836 0.91 NR4A1 (0.47) PNPDPYDHDAC1HDAC6
SCHEMBL6471484 0.89 DPYD (0.46) PARP10PARP15PARP14DPYDKDM4E
SCHEMBL6647198 0.88 PNP (0.40) PARP10PLA2G10PLA2G2APNPDPYD
SCHEMBL6472682 0.87 LMNA (0.49) HDAC1HDAC6
SCHEMBL6652475 0.86 DPYD (0.41) PNPDPYDHDAC1HDAC6
SCHEMBL6473794 0.85 SIRT2 (0.40) PARP10PLA2G2APARP1PNPDPYD
SCHEMBL6472152 0.81 MAOB (0.47) PNPDPYDMAOB
SCHEMBL6471640 0.80 DPYD (0.41) PLA2G2APNPDPYDKDM4EMAOB
SCHEMBL6471088 0.80 THRA (0.45) DPYD
SCHEMBL6652195 0.78 MAPK14 (0.38) PNPDPYDMAOB

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed