SCHEMBL7783531

SCHEMBL7783531

O=c1[nH]c(-c2cccnc2)nc2c1CSCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.60
TNKS2 Q9H2K2 6/20 0.60
PARP1 P09874 4/20 0.60
PARP3 Q9Y6F1 2/20 0.60
PARP2 Q9UGN5 2/20 0.60
WNT3A P56704 1/20 0.60
PARP14 Q460N5 1/20 0.60
PARP4 Q9UKK3 1/20 0.60
AXIN2 Q9Y2T1 1/20 0.60
PARP15 Q460N3 1/20 0.50
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
BTK Q06187 1/20 0.46
KMT2A Q03164 1/20 0.44
PNP P00491 1/20 0.43

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
SCHEMBL7783581 0.85 TNKS2 (0.70) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7776852 0.84 TNKS2 (0.73) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7781465 0.79 TNKS (0.52) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7782072 0.78 TNKS2 (0.71) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL27436932 0.78 TNKS2 (0.71) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL27436124 0.77 TNKS2 (0.70) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL27445179 0.77 TNKS2 (0.70) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL30870703 0.76 TNKS2 (0.58) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL30870677 0.76 TNKS2 (0.75) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL27436196 0.76 TNKS2 (0.58) TNKSTNKS2PARP1PARP3PARP2

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