SCHEMBL15775241

SCHEMBL15775241

O=c1nc(-c2ccc(Br)cc2)[nH]c2c(O)cccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.63
TNKS2 Q9H2K2 13/20 0.63
PARP1 P09874 10/20 0.63
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PARP2 Q9UGN5 2/20 0.49
AR P10275 1/20 0.46
MAPT P10636 2/20 0.43
NR1I3 Q14994 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TP53 P04637 1/20 0.41
MAPK13 O15264 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GUSB P08236 1/20 0.40

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
SCHEMBL15775567 0.88 PARP1 (0.61) TNKSTNKS2PARP1ADORA2AGUSB
SCHEMBL15775644 0.87 TNKS (0.60) TNKSTNKS2PARP1GUSB
SCHEMBL15775482 0.86 PARP1 (0.63) TNKSTNKS2PARP1MAPTADORA1
SCHEMBL15775320 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775381 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775691 0.86 TNKS (0.63) TNKSTNKS2PARP1
SCHEMBL15775249 0.83 TNKS (0.63) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL15775430 0.82 TNKS (0.65) TNKSTNKS2PARP1PARP2
SCHEMBL1387250 0.81 TNKS (0.66) TNKSTNKS2PARP1PARP2MAPT
SCHEMBL15775408 0.80 TNKS (0.65) TNKSTNKS2PARP1CYP1A1CYP1B1

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