SCHEMBL7784477

SCHEMBL7784477

O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2c1CSCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 1/20 0.55
TNKS O95271 4/20 0.55
TNKS2 Q9H2K2 4/20 0.55
PARP1 P09874 3/20 0.55
PARP3 Q9Y6F1 2/20 0.55
PARP2 Q9UGN5 2/20 0.55
WNT3A P56704 1/20 0.55
PARP14 Q460N5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
AXIN2 Q9Y2T1 1/20 0.55
GUSB P08236 1/20 0.54
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARP15 Q460N3 1/20 0.48
CYP1A2 P05177 2/20 0.45

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 0.81 TNKS2 (0.70) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL30870677 0.79 TNKS2 (0.75) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7783531 0.75 TNKS (0.60) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7776852 0.74 TNKS2 (0.73) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7782072 0.73 TNKS2 (0.71) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL30870720 0.71 TNKS2 (0.60) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL30870640 0.71 TNKS2 (0.60) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL14385545 0.71 RNASEL (1.00) RNASELSMN1; SMN2RAB9AALDH1A1
SCHEMBL30870678 0.71 TNKS2 (0.57) TNKSTNKS2PARP1PARP3PARP2
SCHEMBL7783488 0.71 TNKS2 (1.00) 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