SCHEMBL2825338

SCHEMBL2825338

O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2C12OCCCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
MGAT2 Q10469 5/20 0.50
BRD4 O60885 2/20 0.48
MGAT1 P26572 1/20 0.47
MGAT3 Q09327 1/20 0.47
PKLR P30613 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PKM P14618 5/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL2780829 0.83 GAA (0.59) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3469175 0.79 GAA (0.56) MAPK1GAAKMT2AMEN1POLB
SCHEMBL2782035 0.78 KMT2A (0.56) MAPK1GAAKMT2AMEN1POLB
SCHEMBL2781263 0.76 GAA (0.53) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3478684 0.76 MAPK1 (0.52) MAPK1GAAKMT2AMEN1POLB
SCHEMBL5332060 0.76 ALDH1A1 (0.58) MAPK1GAAKMT2AMEN1POLB
SCHEMBL2782662 0.75 GAA (0.49) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3469163 0.75 CASP3 (0.55) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3467433 0.74 KMT2A (0.49) MAPK1GAAKMT2AMEN1POLB
SCHEMBL13196452 0.74 GAA (0.50) MAPK1GAAKMT2AMEN1POLB

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