SCHEMBL15775172

SCHEMBL15775172

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.65
TNKS2 Q9H2K2 13/20 0.65
PARP2 Q9UGN5 8/20 0.65
PARP1 P09874 5/20 0.50
GUSB P08236 1/20 0.47
NQO2 P16083 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL15775359 0.88 TNKS (0.64) TNKSTNKS2PARP2PARP1NQO2
SCHEMBL15775468 0.88 TNKS (0.64) TNKSTNKS2PARP2PARP1NQO2
SCHEMBL15775404 0.88 TNKS (0.64) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775406 0.88 TNKS (0.63) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775408 0.87 TNKS (0.65) TNKSTNKS2PARP2PARP1NQO2
SCHEMBL15775271 0.87 TNKS (0.65) TNKSTNKS2PARP2PARP1NQO2
SCHEMBL15775334 0.84 TNKS (0.67) TNKSTNKS2PARP2PARP1KDM4E
SCHEMBL15775263 0.83 TNKS (0.68) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775947 0.82 TNKS (0.63) TNKSTNKS2PARP2PARP1GUSB
SCHEMBL15775320 0.80 TNKS (0.63) 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