SCHEMBL2780892

SCHEMBL2780892

O=C1N(c2ccccc2)c2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
POLB P06746 2/20 0.42
TSHR P16473 4/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
ANPEP P15144 1/20 0.36
HTR6 P50406 1/20 0.36
HTT P42858 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
SCHEMBL2784556 0.95 PKM (0.41) CNR2POLBTSHRPKML3MBTL1
SCHEMBL13196442 0.92 ALDH1A1 (0.41) CNR2POLBTSHRPKML3MBTL1
SCHEMBL2783111 0.92 POLB (0.48) CNR2POLBTSHRPKMKDM4E
SCHEMBL13196558 0.90 NAMPT (0.39) CNR2POLBHTR6HTT
SCHEMBL2780358 0.88 CNR2 (0.39) CNR2POLBTSHRPKML3MBTL1
SCHEMBL2782395 0.88 HTT (0.39) CNR2POLBALDH1A1LMNAHTT
SCHEMBL13196604 0.87 CNR2 (0.40) CNR2POLBTSHRPKML3MBTL1
SCHEMBL13196575 0.85 CNR2 (0.40) CNR2POLBTSHRL3MBTL1KDM4E
SCHEMBL2782914 0.84 ALDH1A1 (0.43) CNR2POLBTSHRL3MBTL1ALDH1A1
SCHEMBL2782810 0.84 CNR2 (0.39) CNR2POLBTSHRL3MBTL1ALDH1A1

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