SCHEMBL365618

SCHEMBL365618

N#CCOc1ccc2c(C(=O)OCc3ccccc3)c3ccccc3n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL364734 0.92 LMNA (0.40) L3MBTL1KMT2ATDP1ALDH1A1MAPT
SCHEMBL365200 0.92 TP53 (0.40) L3MBTL1KMT2ATDP1ALDH1A1MAPT
SCHEMBL364749 0.91 ESR1 (0.38) L3MBTL1NPC1KMT2ATDP1ALDH1A1
SCHEMBL367137 0.90 ALOX5 (0.40) KMT2ATDP1ALDH1A1KDM4EMEN1
SCHEMBL364902 0.90 ALDH1A1 (0.40) L3MBTL1KMT2AALDH1A1MAPTPOLB
SCHEMBL365579 0.89 MAOB (0.38) L3MBTL1KMT2ATDP1ALDH1A1MAPT
SCHEMBL365359 0.87 ALDH1A1 (0.47) L3MBTL1KMT2ATDP1ALDH1A1MAPT
SCHEMBL366275 0.86 ALDH1A1 (0.36) L3MBTL1KMT2ATDP1ALDH1A1MAPT
SCHEMBL365513 0.86 NPC1 (0.40) L3MBTL1NPC1KMT2AALDH1A1MAPT
SCHEMBL365979 0.86 ALDH1A1 (0.36) L3MBTL1KMT2ATDP1ALDH1A1MAPT

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed