SCHEMBL13196447

SCHEMBL13196447

O=C1N(c2cccnc2)c2ccc(S(=O)(=O)c3ccccn3)cc2C12OCCCO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
NAMPT P43490 5/20 0.36
ELANE P08246 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CDK8 P49336 1/20 0.35
POLB P06746 1/20 0.35
PKLR P30613 1/20 0.34
AVPR1B P47901 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 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
SCHEMBL13196604 0.91 CNR2 (0.40) CNR2EGLN1NAMPTPKMKDM4E
SCHEMBL13196558 0.90 NAMPT (0.39) CNR2EGLN1NAMPTELANECDK8
SCHEMBL13196458 0.90 NAMPT (0.40) CNR2EGLN1NAMPTPKMKDM4E
SCHEMBL13196438 0.87 CNR2 (0.37) CNR2EGLN1NAMPTPKMKDM4E
SCHEMBL13196444 0.85 CNR2 (0.40) CNR2EGLN1NAMPTPKMKDM4E
SCHEMBL13196461 0.80 PKM (0.38) CNR2NAMPTPKMKDM4EPOLB
SCHEMBL13196476 0.80 POLB (0.37) EGLN1ELANEKDM4ECDK8POLB
SCHEMBL2780892 0.79 CNR2 (0.44) CNR2PKMKDM4EPOLBHTT
SCHEMBL13196442 0.79 ALDH1A1 (0.41) CNR2NAMPTPKMKDM4EPOLB
SCHEMBL13196467 0.78 ALDH1A1 (0.38) CNR2PKMKDM4EPOLBPKLR

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