SCHEMBL7782149

SCHEMBL7782149

O=c1[nH]c(CCc2ccccc2)nc2c1CSCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
PARP3 Q9Y6F1 2/20 0.51
PARP15 Q460N3 1/20 0.51
HTR2C P28335 1/20 0.50
TNKS2 Q9H2K2 10/20 0.46
TNKS O95271 7/20 0.46
WNT3A P56704 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
AXIN2 Q9Y2T1 1/20 0.46
RNASEH1 O60930 1/20 0.46
DAO P14920 2/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 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
SCHEMBL7781362 0.88 HTR2C (0.64) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7776880 0.80 RAB9A (0.52) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7776853 0.80 PARP1 (0.49) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7776752 0.77 PARP1 (0.55) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7783296 0.76 PARP1 (0.65) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7781343 0.76 PARP1 (0.60) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7776836 0.76 PARP1 (0.53) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL7783545 0.75 PARP1 (0.56) PARP1PARP3PARP15TNKS2TNKS
SCHEMBL7783529 0.75 TNKS (0.49) PARP1PARP3PARP15HTR2CTNKS2
SCHEMBL6649328 0.75 PARP1 (0.44) PARP1PARP3PARP15HTR2CTNKS2

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