SCHEMBL7783581

SCHEMBL7783581

O=c1[nH]c(-c2ccccc2)nc2c1CSCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 11/20 0.70
TNKS O95271 8/20 0.70
PARP1 P09874 5/20 0.70
WNT3A P56704 5/20 0.70
PARP2 Q9UGN5 2/20 0.70
PARP3 Q9Y6F1 2/20 0.70
PARP14 Q460N5 1/20 0.70
PARP4 Q9UKK3 1/20 0.70
AXIN2 Q9Y2T1 1/20 0.70
PARP15 Q460N3 1/20 0.56
MTHFD2 P13995 4/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7776852 0.87 TNKS2 (0.73) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7782072 0.86 TNKS2 (0.71) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27436932 0.86 TNKS2 (0.71) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783531 0.85 TNKS (0.60) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27436124 0.85 TNKS2 (0.70) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27445179 0.85 TNKS2 (0.70) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL25782527 0.83 TNKS2 (0.70) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27436612 0.83 TNKS2 (0.67) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL27435351 0.83 TNKS2 (0.67) TNKS2TNKSPARP1WNT3APARP2
SCHEMBL7783488 0.83 TNKS2 (1.00) TNKS2TNKSPARP1WNT3APARP2

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