SCHEMBL19953291

SCHEMBL19953291

CCCCCc1nc2c(C)cccc2c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.66
PARP2 Q9UGN5 3/20 0.66
PARP14 Q460N5 10/20 0.56
PARP11 Q9NR21 1/20 0.56
PDE10A Q9Y233 1/20 0.55
TNKS O95271 2/20 0.51
TNKS2 Q9H2K2 2/20 0.51

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
SCHEMBL20355545 0.90 PARP1 (0.71) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL6646629 0.86 PARP1 (0.59) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL6646176 0.85 PARP1 (0.62) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL6647290 0.85 PARP1 (0.58) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL6646129 0.84 PARP1 (0.60) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL17298080 0.84 PARP1 (0.66) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL6644094 0.84 PARP1 (0.63) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL31483741 0.83 PARP1 (0.69) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL21072527 0.83 PARP1 (0.69) PARP1PARP2PARP14PARP11PDE10A
SCHEMBL19331353 0.82 PARP2 (0.54) PARP1PARP2PARP14PARP11

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-2018046933-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2018-03-15 WO disclosed