SCHEMBL7783529

SCHEMBL7783529

O=c1[nH]c(COc2ccccc2Br)nc2c1CSCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.49
TNKS2 Q9H2K2 5/20 0.49
PARP1 P09874 2/20 0.46
PARP3 Q9Y6F1 2/20 0.46
PARP15 Q460N3 1/20 0.46
WNT3A P56704 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
AXIN2 Q9Y2T1 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2C P28335 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL7776892 0.88 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776864 0.88 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776849 0.88 PARP1 (0.51) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7776880 0.85 RAB9A (0.52) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7783507 0.81 PARP1 (0.47) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7782100 0.78 PARP1 (0.47) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7781447 0.77 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7783315 0.77 TNKS (0.48) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7781362 0.76 HTR2C (0.64) TNKSTNKS2PARP1PARP3PARP15
SCHEMBL7782149 0.75 PARP1 (0.51) TNKSTNKS2PARP1PARP3PARP15

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