SCHEMBL8230773

SCHEMBL8230773

NCc1cccc(N2CCOCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.49
NCF1 P14598 1/20 0.49
PIK3CD O00329 5/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CG P48736 3/20 0.48
PIK3CB P42338 1/20 0.48
MAP4K1 Q92918 5/20 0.46
AGXT P21549 1/20 0.43
PTGS2 P35354 4/20 0.42
NTRK1 P04629 1/20 0.40

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
Hydrochloric Acid SCHEMBL3984316 0.99 F10 (0.48) F10NCF1PIK3CDPIK3CAPIK3CG
SCHEMBL671170 0.86 F10 (0.47) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL7895104 0.86 MAP4K1 (0.53) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL670900 0.86 MAP4K1 (0.50) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3864241 0.85 F10 (0.60) F10PTGS2
SCHEMBL29740650 0.82 PIK3CD (0.49) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL20124865 0.82 PIK3CD (0.49) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL13853420 0.79 HTR1A (0.46) F10NCF1AGXT
Hydrochloric Acid SCHEMBL4234312 0.78 HTR1A (0.45) F10NCF1AGXT
SCHEMBL2940366 0.78 MAP4K1 (0.50) F10PIK3CDPIK3CAPIK3CGPIK3CB

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-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