SCHEMBL13196444

SCHEMBL13196444

O=C1N(c2ccccn2)c2ccc(S(=O)(=O)c3ccccn3)cc2C12OCCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
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 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NAMPT P43490 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13196575 0.92 CNR2 (0.40) CNR2KDM4EPOLBTSHREGLN1
SCHEMBL13196604 0.90 CNR2 (0.40) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196458 0.88 NAMPT (0.40) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196438 0.85 CNR2 (0.37) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196447 0.85 CNR2 (0.37) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196461 0.84 PKM (0.38) CNR2PKMKDM4EPOLBPKLR
SCHEMBL13196467 0.82 ALDH1A1 (0.38) CNR2PKMKDM4EPOLBPKLR
SCHEMBL2779905 0.81 CNR2 (0.65) CNR2KDM4EPOLBTSHRALDH1A1
SCHEMBL13196520 0.80 CNR2 (0.46) CNR2PKMPOLBTSHRMEN1
SCHEMBL13196465 0.78 CNR2 (0.45) CNR2PKMPOLBTSHRMEN1

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