SCHEMBL7783507

SCHEMBL7783507

O=c1[nH]c(COc2ccc(F)cc2)nc2c1CSCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
PARP3 Q9Y6F1 2/20 0.47
PARP15 Q460N3 1/20 0.47
TNKS O95271 6/20 0.46
TNKS2 Q9H2K2 6/20 0.46
PARP2 Q9UGN5 2/20 0.46
WNT3A P56704 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
AXIN2 Q9Y2T1 1/20 0.46
DAO P14920 2/20 0.40
RAB9A P51151 1/20 0.39
GRM5 P41594 2/20 0.38
MAPT P10636 3/20 0.37
PTPN1 P18031 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK1A1 P48729 1/20 0.34

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
SCHEMBL7782100 0.88 PARP1 (0.47) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776880 0.88 RAB9A (0.52) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7781447 0.87 TNKS (0.48) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776864 0.84 TNKS (0.48) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776836 0.82 PARP1 (0.53) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7783529 0.81 TNKS (0.49) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7783315 0.80 TNKS (0.48) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776849 0.80 PARP1 (0.51) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7776892 0.80 TNKS (0.48) PARP1PARP3PARP15TNKSTNKS2
SCHEMBL7781343 0.76 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