SCHEMBL7781447

SCHEMBL7781447

O=c1[nH]c(COc2cccc(F)c2)nc2c1CSCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.48
TNKS2 Q9H2K2 5/20 0.48
DAO P14920 1/20 0.45
PARP1 P09874 2/20 0.43
PARP3 Q9Y6F1 2/20 0.43
PARP15 Q460N3 1/20 0.43
WNT3A P56704 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
AXIN2 Q9Y2T1 1/20 0.43
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL7783315 0.87 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7783507 0.87 PARP1 (0.47) TNKSTNKS2DAOPARP1PARP3
SCHEMBL7776880 0.87 RAB9A (0.52) TNKSTNKS2DAOPARP1PARP3
SCHEMBL7776864 0.81 TNKS (0.48) TNKSTNKS2DAOPARP1PARP3
SCHEMBL7783529 0.77 TNKS (0.49) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776892 0.76 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776849 0.76 PARP1 (0.51) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776836 0.74 PARP1 (0.53) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7781343 0.72 PARP1 (0.60) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7781362 0.71 HTR2C (0.64) TNKSTNKS2DAOPARP1PARP3

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