SCHEMBL13196604

SCHEMBL13196604

O=C1N(c2ccccc2)c2ccc(S(=O)(=O)c3ccccn3)cc2C12OCCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PKM P14618 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
PKLR P30613 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
NAMPT P43490 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN9A Q15858 1/20 0.34
ANPEP P15144 1/20 0.33

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
SCHEMBL13196458 0.94 NAMPT (0.40) CNR2EGLN1PKMKDM4EPOLB
SCHEMBL13196438 0.91 CNR2 (0.37) CNR2EGLN1PKMKDM4EPOLB
SCHEMBL13196447 0.91 CNR2 (0.37) CNR2EGLN1PKMKDM4EPOLB
SCHEMBL13196444 0.90 CNR2 (0.40) CNR2EGLN1PKMKDM4EPOLB
SCHEMBL2780892 0.87 CNR2 (0.44) CNR2PKMKDM4EPOLBTSHR
SCHEMBL13196442 0.84 ALDH1A1 (0.41) CNR2PKMKDM4EPOLBTSHR
SCHEMBL13196461 0.84 PKM (0.38) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196575 0.84 CNR2 (0.40) CNR2EGLN1KDM4EPOLBTSHR
SCHEMBL2784556 0.82 PKM (0.41) CNR2PKMPOLBTSHRALDH1A1
SCHEMBL13196558 0.82 NAMPT (0.39) CNR2EGLN1POLBCYP2C9NAMPT

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