SCHEMBL7776875

SCHEMBL7776875

O=c1[nH]c(-c2ccccc2)nc2c1SCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 6/20 0.59
▸ TNKS2 Q9H2K2 6/20 0.59
▸ PARP1 P09874 5/20 0.59
▸ PARP2 Q9UGN5 3/20 0.59
▸ WNT3A P56704 2/20 0.59
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ RNASEH1 O60930 1/20 0.43
▸ ERCC1 P07992 1/20 0.43
▸ FEN1 P39748 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
SCHEMBL1108597 0.84 RNASEL (0.51) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL14613050 0.81 BRD4 (0.53) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL4738751 0.80 ALDH1A1 (0.53) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL14612916 0.77 PARP1 (0.43) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL7783581 0.77 TNKS2 (0.70) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL1033822 0.74 TNKS2 (0.55) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL9070566 0.72 TNKS (0.63) TNKSTNKS2PARP1WNT3AALDH1A1
SCHEMBL1032502 0.72 TNKS2 (0.68) TNKSTNKS2PARP1WNT3AALDH1A1
SCHEMBL7782104 0.70 PARP1 (0.56) TNKSTNKS2PARP1PARP2WNT3A
SCHEMBL12634730 0.70 TNKS (0.44) TNKSTNKS2PARP1PARP2WNT3A

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
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