SCHEMBL7782055

SCHEMBL7782055

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.67
PARP3 Q9Y6F1 2/20 0.67
PARP15 Q460N3 1/20 0.67
TNKS2 Q9H2K2 7/20 0.61
TNKS O95271 6/20 0.61
PARP2 Q9UGN5 2/20 0.51
WNT3A P56704 2/20 0.51
PARP14 Q460N5 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
AXIN2 Q9Y2T1 1/20 0.51
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL18701518 0.81 MAPT (0.43) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL421328 0.80 PARP1 (1.00) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL12030971 0.78 MAPT (0.53) PARP1TNKS2TNKSWNT3AMAPT
SCHEMBL18701482 0.78 HPGD (0.50) PARP1TNKS2TNKSWNT3AMAPT
SCHEMBL7783308 0.76 PARP1 (0.65) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7783296 0.76 PARP1 (0.65) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7781500 0.76 PARP1 (0.65) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7776883 0.73 PARP1 (0.60) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7781343 0.73 PARP1 (0.60) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL14655145 0.73 TNKS2 (0.54) TNKS2TNKSWNT3A

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