SCHEMBL2780780

SCHEMBL2780780

O=C1N(c2ccc(F)c(F)c2)c2ccc(S(=O)(=O)c3ccccc3)cc2C12OCCO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.35
AR P10275 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ANPEP P15144 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTR6 P50406 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
SCHEMBL2780358 0.96 CNR2 (0.39) PKMTSHRSLC6A2ARCNR2
SCHEMBL2784556 0.88 PKM (0.41) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL2780892 0.84 CNR2 (0.44) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL2783111 0.83 POLB (0.48) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL13196451 0.82 ALDH1A1 (0.39) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL2782395 0.79 HTT (0.39) ARCNR2ALDH1A1POLBLMNA
SCHEMBL13196442 0.79 ALDH1A1 (0.41) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL13196410 0.78 CYP3A4 (0.42) PKMTSHRCNR2ALDH1A1SMN1; SMN2
SCHEMBL13196396 0.78 POLB (0.40) TSHRSLC6A2ALDH1A1L3MBTL1ANPEP
SCHEMBL2782810 0.78 CNR2 (0.39) TSHRCNR2ALDH1A1L3MBTL1POLB

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