SCHEMBL4049099

SCHEMBL4049099

N#Cc1cccc(N2CCOCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.53
NSD2 O96028 1/20 0.51
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
KCNH2 Q12809 3/20 0.47
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
ALOX5 P09917 1/20 0.46
PIK3CB P42338 1/20 0.46
FADS1 O60427 2/20 0.45
HTR1A P08908 2/20 0.45
PRKDC P78527 1/20 0.43
DRD4 P21917 2/20 0.43
GRM2 Q14416 1/20 0.43
F10 P00742 1/20 0.42
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL2941206 0.82 F10 (0.50) PIK3CDHTR1APRKDCF10
SCHEMBL16705239 0.80 NSD2 (0.64) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL29519746 0.79 NSD2 (0.54) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL19693904 0.79 NSD2 (0.54) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL20124865 0.79 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL29740650 0.79 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL2940366 0.78 MAP4K1 (0.50) PIK3CDDRD2DRD3PIK3CAPIK3CG
SCHEMBL1438679 0.78 PIK3CD (0.46) PIK3CDDRD2DRD3KCNH2PIK3CA
SCHEMBL20502398 0.78 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CGALOX5PIK3CB
SCHEMBL13097259 0.78 F10 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10

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-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed