SCHEMBL15775348

SCHEMBL15775348

CCc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.68
PARP1 P09874 7/20 0.68
TNKS2 Q9H2K2 5/20 0.46
PARP2 Q9UGN5 2/20 0.46
HDAC11 Q96DB2 1/20 0.44
WNT3A P56704 1/20 0.44
PGR P06401 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
SCHEMBL15775783 0.84 TNKS (0.71) TNKSPARP1TNKS2PARP2
SCHEMBL15775466 0.83 PARP1 (0.63) TNKSPARP1TNKS2
SCHEMBL15775421 0.82 TNKS (0.73) TNKSPARP1TNKS2PARP2HDAC11
SCHEMBL15775959 0.81 TNKS (0.76) TNKSPARP1TNKS2PARP2HDAC11
SCHEMBL15775897 0.77 PARP1 (0.65) TNKSPARP1TNKS2PARP2HDAC11
SCHEMBL4763725 0.76 TNKS (0.64) TNKSPARP1TNKS2PARP2HDAC11
SCHEMBL15569103 0.74 TNKS (0.60) TNKSPARP1TNKS2PARP2
SCHEMBL15775399 0.73 TNKS (0.63) TNKSPARP1
SCHEMBL15568122 0.73 PARP1 (0.64) TNKSPARP1TNKS2
SCHEMBL15693152 0.73 TNKS (0.50) TNKSPARP1TNKS2PARP2HDAC11

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