SCHEMBL7566607

SCHEMBL7566607

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 18/20 1.00
TNKS2 Q9H2K2 18/20 1.00
PARP1 P09874 11/20 1.00
PARP2 Q9UGN5 7/20 0.71
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
SCHEMBL7568249 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL15775325 0.86 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775476 0.84 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775692 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7569320 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775949 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775251 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL15775474 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL17829611 0.81 TNKS (0.72) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL6056819 0.80 MGAM (0.68) TNKSTNKS2PARP1NPC1RAB9A

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 3 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
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