SCHEMBL15775430

SCHEMBL15775430

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.65
TNKS2 Q9H2K2 13/20 0.65
PARP1 P09874 11/20 0.65
WNT3A P56704 2/20 0.53
PARP2 Q9UGN5 2/20 0.52
COMT P21964 1/20 0.49
RAB9A P51151 1/20 0.41
DGAT1 O75907 1/20 0.40
KCNH2 Q12809 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
SCHEMBL15775381 0.85 TNKS (0.63) TNKSTNKS2PARP1PARP2RAB9A
SCHEMBL15775567 0.85 PARP1 (0.61) TNKSTNKS2PARP1
SCHEMBL15775277 0.84 TNKS (0.65) TNKSTNKS2PARP1WNT3APARP2
SCHEMBL15775644 0.83 TNKS (0.60) TNKSTNKS2PARP1
SCHEMBL15775482 0.82 PARP1 (0.63) TNKSTNKS2PARP1RAB9A
SCHEMBL15775691 0.82 TNKS (0.63) TNKSTNKS2PARP1
SCHEMBL15775320 0.82 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775241 0.82 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL15775334 0.81 TNKS (0.67) TNKSTNKS2PARP1WNT3APARP2
SCHEMBL7568265 0.79 TNKS (1.00) TNKSTNKS2PARP1WNT3APARP2

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