SCHEMBL366034

SCHEMBL366034

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
PLA2G4A P47712 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AGTR1 P30556 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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 0.89 ATM (0.45) ATML3MBTL1KDM4EMAPTPLA2G4A
SCHEMBL366559 0.88 ATM (0.47) ATML3MBTL1KDM4EMAPTPLA2G4A
SCHEMBL367750 0.86 ATM (0.43) ATML3MBTL1KDM4EMAPTPLA2G4A
SCHEMBL366790 0.84 EGFR (0.41) KDM4EMEN1KMT2AEGFRSRC
SCHEMBL367734 0.82 ATM (0.40) ATML3MBTL1KDM4EMAPTMEN1
SCHEMBL366077 0.82 ATM (0.45) ATML3MBTL1KDM4EMAPTMEN1
SCHEMBL365273 0.81 PLA2G4A (0.45) ATML3MBTL1KDM4EMAPTPLA2G4A
SCHEMBL367766 0.78 L3MBTL1 (0.43) L3MBTL1MAPTPLA2G4AKMT2AEGFR
SCHEMBL365021 0.77 SMN1; SMN2 (0.42) ATML3MBTL1MAPTPLA2G4AKMT2A
SCHEMBL367205 0.76 EGFR (0.45) KDM4EMEN1KMT2AEGFRSRC

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