SCHEMBL4732189

SCHEMBL4732189

O=C1Nc2ccccc2C1(CO)c1cc2c(cc1O)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.44
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
SCN9A Q15858 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
XBP1 P17861 1/20 0.37
USP2 O75604 1/20 0.36
F2 P00734 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 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
SCHEMBL12470962 0.85 MTOR (0.43) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL281990 0.83 L3MBTL1 (0.36) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL3326333 0.81 SCN9A (0.35) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL1612096 0.81 KMT2A (0.63) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL4727528 0.79 KMT2A (0.44) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL2303883 0.78 PDE7A (0.37) SCN9AKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL282095 0.75 KMT2A (0.46) KMT2AMEN1LMNAMAPTNPSR1
SCHEMBL1612150 0.75 SCN9A (0.56) SCN9AKMT2AMEN1ALDH1A1
SCHEMBL15314983 0.75 SCN9A (0.53) SCN9ALMNAMAPTGAAMAPK1
SCHEMBL1611952 0.73 KMT2A (0.63) MTORRICTORRPTORMAPKAP1MLST8

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-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed