SCHEMBL7568249

SCHEMBL7568249

COc1ccc(-c2nc3c(OC)cccc3c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 17/20 1.00
TNKS2 Q9H2K2 17/20 1.00
PARP1 P09874 10/20 1.00
PARP2 Q9UGN5 7/20 0.81
NPC1 O15118 1/20 0.65
GUSB P08236 1/20 0.65
CASP3 P42574 1/20 0.65
RAB9A P51151 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65

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
SCHEMBL165829 0.89 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775361 0.89 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL1387257 0.89 TNKS (1.00) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL11102850 0.88 TNKS (0.79) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775173 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
Hydrochloric Acid SCHEMBL28060794 0.88 TNKS (0.97) TNKSTNKS2PARP1PARP2
SCHEMBL15775410 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775274 0.88 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7566607 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL11099244 0.86 TNKS (0.74) TNKSTNKS2PARP1PARP2NPC1

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