SCHEMBL366559

SCHEMBL366559

COc1cc(C(C)=O)cn2c1c(C(=O)O)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.47
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G4A P47712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
EGFR P00533 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
SCHEMBL365176 0.94 ATM (0.45) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL367750 0.90 ATM (0.43) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL365021 0.89 SMN1; SMN2 (0.42) ATMMAPTL3MBTL1KMT2ALMNA
SCHEMBL366034 0.88 ATM (0.41) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL366077 0.86 ATM (0.45) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL365273 0.85 PLA2G4A (0.45) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL365789 0.83 EGFR (0.41) ATMKDM4EALDH1A1POLBHPGD
SCHEMBL367766 0.82 L3MBTL1 (0.43) MAPTL3MBTL1KMT2ALMNANPSR1
SCHEMBL366020 0.80 STS (0.41) ATMKDM4EMAPTL3MBTL1KMT2A
SCHEMBL367734 0.79 ATM (0.40) ATMKDM4EMAPTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed