SCHEMBL7781500

SCHEMBL7781500

CC(C)c1nc2c(c(=O)[nH]1)CSCC2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.65
PARP3 Q9Y6F1 2/20 0.65
PARP15 Q460N3 1/20 0.65
TNKS O95271 6/20 0.50
TNKS2 Q9H2K2 6/20 0.50
PARP2 Q9UGN5 2/20 0.47
WNT3A P56704 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
AXIN2 Q9Y2T1 1/20 0.47

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
SCHEMBL421328 0.79 PARP1 (1.00) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL31128640 0.77 HPGD (0.49) PARP1TNKSTNKS2WNT3A
SCHEMBL18238970 0.77 PARP1 (0.39) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776797 0.76 PARP1 (0.48) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7782055 0.76 PARP1 (0.67) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7783308 0.75 PARP1 (0.65) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7783296 0.75 PARP1 (0.65) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL18238836 0.73 PARP1 (0.36) PARP1PARP3PARP15
SCHEMBL7776883 0.72 PARP1 (0.60) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7781343 0.72 PARP1 (0.60) PARP1PARP3PARP15TNKSTNKS2

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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed