SCHEMBL7014565

SCHEMBL7014565

O=c1[nH]c(CCCC2CC(c3ccc(O)cc3)=CCN2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.59
TNKS O95271 1/20 0.46
GUSB P08236 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 3/20 0.46
DRD4 P21917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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 SCHEMBL7018458 0.92 PARP1 (0.55) PARP1PARP2PDE10A
SCHEMBL7021104 0.89 PARP1 (0.48) PARP1PARP2PDE10A
SCHEMBL7023192 0.80 PARP1 (0.49) PARP1PARP2
SCHEMBL7017660 0.80 PARP1 (0.60) PARP1PARP2
SCHEMBL7017894 0.80 PARP1 (0.48) PARP1PARP2
SCHEMBL467535 0.80 PARP1 (0.60) PARP1PARP2PDE10A
SCHEMBL7021525 0.79 PARP1 (0.51) PARP1TNKS2PARP2PDE10A
SCHEMBL7017391 0.77 PARP1 (0.47) PARP1PARP2
SCHEMBL7020655 0.77 PARP1 (0.45) PARP1GUSBPARP2
SCHEMBL7023422 0.77 PARP1 (0.46) PARP1PARP2

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-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 WO disclosed