SCHEMBL3469175

SCHEMBL3469175

NS(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAPDH P04406 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
PTPN7 P35236 1/20 0.37
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
CDK2 P24941 1/20 0.36
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35

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
SCHEMBL3478684 0.83 MAPK1 (0.52) GAAMAPK1KMT2APOLBMEN1
SCHEMBL2780829 0.83 GAA (0.59) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3469163 0.82 CASP3 (0.55) GAAMAPK1KMT2APOLBMEN1
SCHEMBL13196452 0.81 GAA (0.50) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3467565 0.80 GAA (0.47) GAAMAPK1KMT2APOLBMEN1
SCHEMBL13196418 0.80 GAA (0.62) GAAMAPK1KMT2APOLBMEN1
SCHEMBL3467433 0.79 KMT2A (0.49) GAAMAPK1KMT2APOLBMEN1
SCHEMBL13196446 0.79 GAA (0.48) GAAMAPK1KMT2APOLBMEN1
SCHEMBL2825338 0.79 MAPK1 (0.54) GAAMAPK1KMT2APOLBMEN1
SCHEMBL2781263 0.78 GAA (0.53) GAAMAPK1KMT2APOLBMEN1

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-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO claimed