SCHEMBL27728385

SCHEMBL27728385

O=CC(=O)c1cn(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
NOD2 Q9HC29 1/20 0.51
MCL1 Q07820 6/20 0.51
BAD Q92934 6/20 0.51
CNR2 P34972 6/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GALR3 O60755 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL27707847 0.85 RAB9A (0.47) RAB9ANPC1NOD2CNR2MAPT
SCHEMBL27707858 0.84 RAB9A (0.51) RAB9ANPC1NOD2CNR2MAPT
SCHEMBL27707843 0.81 TP53 (0.63) RAB9ANPC1NOD2CNR2MAPT
SCHEMBL27728428 0.81 RAB9A (0.51) RAB9ANPC1NOD2MAPTL3MBTL1
SCHEMBL28215959 0.81 L3MBTL1 (0.66) RAB9ACNR2MAPTL3MBTL1KDM4E
SCHEMBL21999706 0.79 LMNA (0.69) MCL1BADCNR2
SCHEMBL6802019 0.78 ALDH1A1 (0.70) RAB9ANPC1MAPTL3MBTL1KDM4E
SCHEMBL28229359 0.77 NR4A2 (0.64) CNR2L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27728387 0.76 POLB (0.72) CNR2MAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL28155884 0.75 SLC22A12 (0.60) RAB9ANPC1NOD2CNR2MAPT

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
CN-101213174-A Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-07-02 CN disclosed