SCHEMBL2780358

SCHEMBL2780358

O=C1N(c2ccc(F)c(F)c2)c2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
ANPEP P15144 3/20 0.36
KDM4E B2RXH2 1/20 0.34
SLC6A2 P23975 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AR P10275 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 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
SCHEMBL2780780 0.96 PKM (0.38) CNR2POLBALDH1A1TSHRPKM
SCHEMBL2780892 0.88 CNR2 (0.44) CNR2POLBALDH1A1TSHRPKM
SCHEMBL2783111 0.88 POLB (0.48) CNR2POLBALDH1A1TSHRPKM
SCHEMBL2784556 0.84 PKM (0.41) CNR2POLBALDH1A1TSHRPKM
SCHEMBL13196442 0.84 ALDH1A1 (0.41) CNR2POLBALDH1A1TSHRPKM
SCHEMBL2782395 0.83 HTT (0.39) CNR2POLBALDH1A1ARLMNA
SCHEMBL13196396 0.83 POLB (0.40) POLBALDH1A1TSHRANPEPKDM4E
SCHEMBL2782810 0.82 CNR2 (0.39) CNR2POLBALDH1A1TSHRL3MBTL1
SCHEMBL13196558 0.81 NAMPT (0.39) CNR2POLB
SCHEMBL2781670 0.81 ALDH1A1 (0.41) POLBALDH1A1TSHRANPEPKDM4E

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 claimed