SCHEMBL7092748

SCHEMBL7092748

O=C(CCl)c1ccc(N2CCOCC2)cc1O.O=C(CN1CCOCC1)c1ccc(N2CCOCC2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.59
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
GSK3B P49841 1/20 0.43
P4HB P07237 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC16A3 O15427 1/20 0.41
APP P05067 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
SCHEMBL5058436 0.94 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3216387 0.92 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063516 0.82 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7090207 0.82 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5065314 0.79 PRKDC (0.68) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063514 0.79 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058383 0.78 PRKDC (0.51) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21160054 0.76 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058593 0.76 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5058525 0.76 PRKDC (0.75) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed