SCHEMBL15775381

SCHEMBL15775381

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.63
TNKS2 Q9H2K2 12/20 0.63
PARP1 P09874 9/20 0.63
PARP2 Q9UGN5 3/20 0.50
PLA2G7 Q13093 2/20 0.44
SERPINE1 P05121 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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) TNKSTNKS2PARP1KDM4E
SCHEMBL15775644 0.87 TNKS (0.60) TNKSTNKS2PARP1KDM4E
SCHEMBL15775241 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775482 0.86 PARP1 (0.63) TNKSTNKS2PARP1KDM4ENPC1
SCHEMBL15775691 0.86 TNKS (0.63) TNKSTNKS2PARP1PLA2G7KDM4E
SCHEMBL15775320 0.86 TNKS (0.63) TNKSTNKS2PARP1PARP2PLA2G7
SCHEMBL15775430 0.85 TNKS (0.65) TNKSTNKS2PARP1PARP2RAB9A
SCHEMBL15775472 0.83 TNKS (0.63) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL1387250 0.81 TNKS (0.66) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL15775468 0.81 TNKS (0.64) TNKSTNKS2PARP1PARP2KDM4E

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