SCHEMBL7020655

SCHEMBL7020655

O=c1[nH]c(CCCC2CC(c3ccccc3)=CCN2)nc2c([N+](=O)[O-])cccc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.45
PARP2 Q9UGN5 2/20 0.38
KCNH2 Q12809 1/20 0.37
GUSB P08236 1/20 0.36

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
SCHEMBL7017894 0.85 PARP1 (0.48) PARP1PARP2KCNH2
SCHEMBL7017660 0.85 PARP1 (0.60) PARP1PARP2KCNH2
SCHEMBL7017391 0.83 PARP1 (0.47) PARP1PARP2KCNH2
Hydrochloric Acid SCHEMBL7018458 0.82 PARP1 (0.55) PARP1PARP2
SCHEMBL7016636 0.80 PARP1 (0.51) PARP1PARP2KCNH2
SCHEMBL7023422 0.80 PARP1 (0.46) PARP1PARP2
SCHEMBL7018142 0.80 PARP1 (0.47) PARP1PARP2KCNH2
SCHEMBL4331151 0.78 PARP1 (0.62) PARP1PARP2KCNH2
Hydrochloric Acid SCHEMBL7019654 0.78 PARP1 (0.51) PARP1PARP2KCNH2
SCHEMBL6793333 0.77 PARP1 (0.74) PARP1PARP2KCNH2

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