SCHEMBL13196476

SCHEMBL13196476

O=C1N(c2cccnc2)c2ccc(Sc3ccccn3)cc2C12OCCCO2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
EGLN1 Q9GZT9 1/20 0.35
CDK8 P49336 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
HTT P42858 1/20 0.33
ELANE P08246 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ANPEP P15144 1/20 0.32
GCK P35557 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL13196439 0.90 POLB (0.39) POLBEGLN1CDK8CTSDBACE1
SCHEMBL13196453 0.85 POLB (0.40) POLBEGLN1CTSDBACE1HTT
SCHEMBL13196447 0.80 CNR2 (0.37) POLBEGLN1CDK8HTTELANE
SCHEMBL2782930 0.78 POLB (0.43) POLBHTTKDM4EANPEPL3MBTL1
SCHEMBL2781518 0.77 CNR2 (0.52) POLBHTTANPEPL3MBTL1TSHR
SCHEMBL13196558 0.76 NAMPT (0.39) POLBEGLN1CDK8HTTELANE
SCHEMBL2781233 0.72 GAA (0.53) POLBCTSDBACE1KDM4CGCK
SCHEMBL2783319 0.70 POLB (0.40) POLBKDM4EANPEPL3MBTL1TSHR
SCHEMBL13196604 0.70 CNR2 (0.40) POLBEGLN1KDM4EANPEPL3MBTL1
SCHEMBL2779887 0.69 CNR2 (0.52) POLBHTTANPEPL3MBTL1TSHR

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-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed