SCHEMBL15775576

SCHEMBL15775576

CCc1cccc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 17/20 0.74
▸ TNKS2 Q9H2K2 17/20 0.74
▸ PARP1 P09874 13/20 0.74
▸ PARP2 Q9UGN5 5/20 0.69
▸ GUSB P08236 2/20 0.62
▸ NLRP3 Q96P20 1/20 0.62

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
SCHEMBL15775530 0.85 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL1387251 0.82 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL7576663 0.82 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775574 0.81 TNKS (0.54) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775356 0.77 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15840747 0.74 PARP1 (0.68) TNKSTNKS2PARP1PARP2
SCHEMBL30665826 0.71 TNKS (0.75) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL2126968 0.71 TNKS (0.59) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL7500358 0.71 TNKS (0.60) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL6330691 0.70 PARP1 (0.70) TNKSTNKS2PARP1PARP2

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
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