SCHEMBL3244982

SCHEMBL3244982

O=C1Nc2ccccc2C1(O)Cc1ccccc1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12165522 0.85 ATM (0.77) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL24281081 0.76 SMN1; SMN2 (0.62) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL31453077 0.73 GAA (0.61) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL15229056 0.73 GAA (0.61) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL15229055 0.73 GAA (0.61) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL31453076 0.73 GAA (0.61) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL8056975 0.73 GAA (0.61) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL1460831 0.72 SMN1; SMN2 (0.70) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL4067986 0.72 GAA (0.59) ATMSMN1; SMN2HTTGAAIDO1
SCHEMBL11375291 0.71 ATM (0.57) ATMSMN1; SMN2HTTGAAIDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516366-B Oxindole derivatives as anticancer agents HOFFMANN LA ROCHE 2012-05-30 CN claimed
EP-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed
EP-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed