SCHEMBL7783296

SCHEMBL7783296

CCc1nc2c(c(=O)[nH]1)CSCC2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.65
PARP3 Q9Y6F1 2/20 0.65
PARP15 Q460N3 1/20 0.65
TNKS2 Q9H2K2 8/20 0.50
TNKS O95271 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
SRC P12931 1/20 0.39
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
GLA P06280 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
SCHEMBL7781343 0.84 PARP1 (0.60) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7776883 0.84 PARP1 (0.60) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7783545 0.83 PARP1 (0.56) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7776848 0.80 PARP1 (0.52) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7776752 0.80 PARP1 (0.55) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL421328 0.79 PARP1 (1.00) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7781362 0.77 HTR2C (0.64) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL12050029 0.77 POLB (0.52) HPGDPOLBALDH1A1
SCHEMBL18711813 0.77 HPGD (0.54) PARP1SRCHTR2CL3MBTL1TP53
SCHEMBL7782149 0.76 PARP1 (0.51) PARP1PARP3PARP15TNKS2TNKS

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