SCHEMBL13196396

SCHEMBL13196396

O=C1N(c2ccc(F)c(F)c2)c2ccc(/C=C/c3ccccc3)cc2C12OCCCO2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ANPEP P15144 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 1/20 0.35
RAD51 Q06609 1/20 0.34
TSHR P16473 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
SCHEMBL2780358 0.83 CNR2 (0.39) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2783319 0.82 POLB (0.40) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2781670 0.82 ALDH1A1 (0.41) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2781258 0.81 POLB (0.44) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2781466 0.74 ALDH1A1 (0.37) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2780477 0.74 ALDH1A1 (0.37) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL13274021 0.73 ANPEP (0.39) POLBALDH1A1ANPEP
SCHEMBL13196436 0.71 POLB (0.45) POLBALDH1A1ANPEPL3MBTL1HTT
SCHEMBL13196426 0.70 ALDH1A1 (0.52) POLBALDH1A1ANPEPL3MBTL1HTT
SCHEMBL2783111 0.70 POLB (0.48) POLBALDH1A1ANPEPHTTKDM4E

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