SCHEMBL3468579

SCHEMBL3468579

O=C1Nc2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2C12OCCCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPK1 P28482 1/20 0.48
ALOX5AP P20292 8/20 0.48
FEN1 P39748 8/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL3471618 0.96 ALOX5AP (0.49) GAAMAPK1ALOX5APFEN1KMT2A
SCHEMBL3472575 0.85 OPRM1 (0.51) GAAMAPK1ALOX5APFEN1KMT2A
SCHEMBL3469163 0.74 CASP3 (0.55) GAAMAPK1KMT2AMEN1POLB
SCHEMBL13273663 0.71 GAA (0.59) GAAMAPK1KMT2AMEN1POLB
SCHEMBL9098061 0.70 KMT2A (0.61) GAAMAPK1KMT2AMEN1POLB
SCHEMBL978033 0.69 ALOX5AP (0.59) GAAALOX5APFEN1KMT2AMEN1
SCHEMBL3468580 0.69 CNR2 (0.47) GAAKMT2AMEN1POLBKDM4E
SCHEMBL2780829 0.69 GAA (0.59) GAAMAPK1KMT2AMEN1POLB
SCHEMBL3522216 0.69 PGR (0.63) GAAMAPK1KMT2AMEN1POLB
SCHEMBL3467433 0.68 KMT2A (0.49) GAAMAPK1KMT2AMEN1POLB

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