SCHEMBL7576663

SCHEMBL7576663

COc1cccc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 16/20 1.00
▸ TNKS2 Q9H2K2 16/20 1.00
▸ PARP2 Q9UGN5 8/20 1.00
▸ PARP1 P09874 8/20 0.72
▸ GUSB P08236 1/20 0.60
▸ NLRP3 Q96P20 1/20 0.60

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
SCHEMBL15775530 0.84 TNKS (1.00) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL28425038 0.84 TNKS (0.72) TNKSTNKS2PARP2PARP1
SCHEMBL7568249 0.84 TNKS (1.00) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL165829 0.84 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL15775361 0.84 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL1387257 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775173 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775410 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1
SCHEMBL11102850 0.83 TNKS (0.79) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775274 0.83 TNKS (1.00) TNKSTNKS2PARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 — — WO disclosed
EP-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 — — EP disclosed
EP-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 — — EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 — — WO disclosed
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