SCHEMBL13196458

SCHEMBL13196458

O=C1N(c2ccncc2)c2ccc(S(=O)(=O)c3ccccn3)cc2C12OCCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
CNR2 P34972 1/20 0.39
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
PKLR P30613 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
ANPEP P15144 1/20 0.32
HTR6 P50406 1/20 0.32

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 0.94 CNR2 (0.40) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL13196447 0.90 CNR2 (0.37) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL13196442 0.89 ALDH1A1 (0.41) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL13196444 0.88 CNR2 (0.40) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL13196438 0.88 CNR2 (0.37) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL13196461 0.82 PKM (0.38) NAMPTCNR2PKMKDM4EPOLB
SCHEMBL2780892 0.81 CNR2 (0.44) CNR2PKMKDM4EPOLBALDH1A1
SCHEMBL13196467 0.80 ALDH1A1 (0.38) CNR2PKMKDM4EPOLBALDH1A1
SCHEMBL13196575 0.80 CNR2 (0.40) CNR2KDM4EPOLBALDH1A1CYP1A2
SCHEMBL2779905 0.79 CNR2 (0.65) CNR2KDM4EPOLBALDH1A1TSHR

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