SCHEMBL367734

SCHEMBL367734

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.40
NCEH1 Q6PIU2 4/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL365490 0.90 NCEH1 (0.39) NCEH1KMT2AMEN1PKMRAB9A
SCHEMBL365213 0.86 PKM (0.39) NCEH1NPSR1KMT2AMEN1PKM
SCHEMBL365189 0.85 ACHE (0.37) NCEH1ALDH1A1
SCHEMBL366034 0.82 ATM (0.41) ATMKDM4EMAPTL3MBTL1NPSR1
SCHEMBL365769 0.82 LTB4R (0.39) KDM4EMAPTNPSR1KMT2AMEN1
SCHEMBL366020 0.81 STS (0.41) ATMKDM4EMAPTL3MBTL1NPSR1
SCHEMBL366851 0.80 ALDH1A1 (0.38) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL365593 0.80 MRGPRX4 (0.39) PKM
SCHEMBL365176 0.80 ATM (0.45) ATMKDM4EMAPTL3MBTL1NPSR1
SCHEMBL366077 0.80 ATM (0.45) ATMKDM4EMAPTL3MBTL1NPSR1

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