SCHEMBL3467433

SCHEMBL3467433

O=C1Nc2ccc(S(=O)(=O)N3CC(F)(F)C3)cc2C12OCCCO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 3/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 4/20 0.41
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL3469163 0.87 CASP3 (0.55) KMT2AGAAMAPK1MEN1POLB
SCHEMBL3469175 0.79 GAA (0.56) KMT2AGAAMAPK1MEN1POLB
SCHEMBL3478684 0.76 MAPK1 (0.52) KMT2AGAAMAPK1MEN1POLB
SCHEMBL2780829 0.76 GAA (0.59) KMT2AGAAMAPK1MEN1POLB
SCHEMBL14563326 0.76 CASP3 (0.46) KMT2AGAAMAPK1MEN1POLB
SCHEMBL3472577 0.75 OPRM1 (0.38) KMT2AGAAMAPK1MEN1POLB
SCHEMBL3472575 0.75 OPRM1 (0.51) KMT2AGAAMAPK1MEN1POLB
SCHEMBL2825338 0.74 MAPK1 (0.54) KMT2AGAAMAPK1MEN1POLB
SCHEMBL13273674 0.74 CNR2 (0.44) KMT2AMEN1POLBCASP3CASP7
SCHEMBL13196452 0.74 GAA (0.50) KMT2AGAAMAPK1MEN1POLB

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