SCHEMBL15775249

SCHEMBL15775249

Cc1cccc2c(=O)nc(-c3ccc(Br)cc3)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 15/20 0.63
TNKS2 Q9H2K2 15/20 0.63
PARP2 Q9UGN5 5/20 0.63
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PARP1 P09874 9/20 0.49
MAPT P10636 1/20 0.43
NR1I3 Q14994 1/20 0.43

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
SCHEMBL15775324 0.88 TNKS (0.61) TNKSTNKS2PARP2PARP1
SCHEMBL15775475 0.87 TNKS (0.60) TNKSTNKS2PARP2PARP1MAPT
SCHEMBL15775947 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1
SCHEMBL15775352 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1
SCHEMBL15775472 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1
SCHEMBL15775690 0.86 TNKS (0.63) TNKSTNKS2PARP2PARP1
SCHEMBL15775351 0.83 TNKS (0.64) TNKSTNKS2PARP2PARP1
SCHEMBL15775241 0.83 TNKS (0.63) TNKSTNKS2PARP2CYP1A1CYP1B1
Bromide SCHEMBL15775841 0.82 TNKS (0.65) TNKSTNKS2PARP2PARP1
SCHEMBL15775277 0.82 TNKS (0.65) TNKSTNKS2PARP2PARP1

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

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