SCHEMBL6998523

SCHEMBL6998523

COc1ccc(O)c2c1COC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIM1 P11309 2/20 0.45
NUAK1 O60285 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
SRC P12931 1/20 0.45
AXL P30530 1/20 0.45
AKT1 P31749 1/20 0.45
KDR P35968 1/20 0.45
NEK2 P51955 1/20 0.45
PLK1 P53350 1/20 0.45
PTK2 Q05397 1/20 0.45
PKN1 Q16512 1/20 0.45
AURKB Q96GD4 1/20 0.45
NEK6 Q9HC98 1/20 0.45

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
SCHEMBL6204130 0.86 KDM4E (0.57) KDM4ELMNAGAAPIM1NUAK1
SCHEMBL11363863 0.80 KDM4E (0.51) KDM4ELMNAGAAPIM1NUAK1
SCHEMBL7002194 0.80 MAOA (0.53) KDM4EMAOBMAOAGAASMN1; SMN2
SCHEMBL38661155 0.78 NUAK1 (0.54) KDM4ELMNAGAASMN1; SMN2PIM1
SCHEMBL12553463 0.74 MAOA (0.47) KDM4EMAOBMAOAGAASMN1; SMN2
SCHEMBL15902735 0.73 KDM4E (0.69) KDM4ELMNAMAOAGAASMN1; SMN2
SCHEMBL31619335 0.73 KDM4E (0.69) KDM4ELMNAMAOAGAASMN1; SMN2
SCHEMBL12553458 0.73 KDM4E (0.57) KDM4ELMNAGAAPIM1NUAK1
SCHEMBL14451818 0.72 KDM4E (0.73) KDM4ELMNAGAAPIM1ALDH1A1
Cilinaphthalide A SCHEMBL15932091 0.72 KDM4E (0.61) KDM4ELMNAMAOBGAASMN1; SMN2

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
EP-1241169-B1 Isoindoloindolone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-08-27 EP disclosed
US-6465660-B1 PARTICULARLY 2-HYDROXY-8,9-DIMETHOXYISOINDOLO(2,1-A)INDOL-6-ONE AND 2-HYDROXY-8,9-DIMETHOXYISOINDOLO(2,1-A)INDOL-6-ONE; TREATING A DISORDER OF THE MELATONINERGIC SYSTEM LES LABORATOIRES SERVIER (FR) 2002-10-15 US disclosed
EP-1241169-A1 Isoindoloindolone derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-09-18 EP disclosed