SCHEMBL15775263

SCHEMBL15775263

COc1cccc2c(=O)nc(-c3ccc([N+](=O)[O-])cc3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.68
TNKS2 Q9H2K2 12/20 0.68
PARP2 Q9UGN5 7/20 0.68
PARP1 P09874 5/20 0.53
GUSB P08236 1/20 0.51
NLRP3 Q96P20 1/20 0.51
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
STAT1 P42224 1/20 0.45

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
SCHEMBL15775528 0.84 TNKS (0.66) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775404 0.84 TNKS (0.64) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775468 0.84 TNKS (0.64) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL15775359 0.84 TNKS (0.64) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL15775406 0.83 TNKS (0.63) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775172 0.83 TNKS (0.65) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775271 0.83 TNKS (0.65) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL15775408 0.83 TNKS (0.65) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL15775574 0.82 TNKS (0.54) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL1387250 0.81 TNKS (0.66) TNKSTNKS2PARP2PARP1GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed