SCHEMBL15775574

SCHEMBL15775574

CCc1cccc2c(=O)nc(-c3ccc([N+](=O)[O-])cc3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.54
TNKS2 Q9H2K2 4/20 0.54
PARP1 P09874 3/20 0.54
PARP2 Q9UGN5 2/20 0.52
GUSB P08236 2/20 0.52
NLRP3 Q96P20 1/20 0.52
ADORA2B P29275 2/20 0.48
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
NPBWR1 P48145 2/20 0.46
IDO1 P14902 1/20 0.44
MAPT P10636 3/20 0.43
MMP13 P45452 2/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL15775528 0.85 TNKS (0.66) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL1387250 0.82 TNKS (0.66) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775263 0.82 TNKS (0.68) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775576 0.81 TNKS (0.74) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775355 0.77 MMP2 (0.68) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL2126968 0.71 TNKS (0.59) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL6330688 0.70 MMP2 (0.62) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775530 0.70 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775356 0.69 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL10871321 0.68 ADORA2B (0.54) TNKSTNKS2PARP1PARP2GUSB

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