SCHEMBL3478684

SCHEMBL3478684

CN(C)S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CDK2 P24941 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
RGS12 O14924 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5332060 0.84 ALDH1A1 (0.58) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3469175 0.83 GAA (0.56) MAPK1GAAKMT2AMEN1POLB
SCHEMBL2780829 0.80 GAA (0.59) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3469163 0.79 CASP3 (0.55) MAPK1GAAKMT2AMEN1POLB
SCHEMBL13196446 0.78 GAA (0.48) MAPK1GAAKMT2AMEN1POLB
SCHEMBL13196452 0.78 GAA (0.50) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3467565 0.77 GAA (0.47) MAPK1GAAKMT2AMEN1POLB
SCHEMBL5335747 0.76 GAA (0.62) MAPK1GAAKMT2AMEN1POLB
SCHEMBL2825338 0.76 MAPK1 (0.54) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3467433 0.76 KMT2A (0.49) 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-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed