SCHEMBL12810163

SCHEMBL12810163

O=NC(=O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.54
PARP11 Q9NR21 10/20 0.54
PARP1 P09874 5/20 0.47
PDPK1 O15530 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
GRM5 P41594 4/20 0.47
GSK3B P49841 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 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
SCHEMBL1417726 0.83 PARP11 (0.58) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL30337030 0.83 PARP11 (0.58) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL30421037 0.81 PARP10 (0.57) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL1727165 0.81 PARP11 (0.72) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL29144306 0.78 PARP11 (0.56) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL30336933 0.78 PRKACA (0.58) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL12683051 0.78 PRKACA (0.58) PARP10PARP11PARP1PDPK1PRKACA
SCHEMBL8254416 0.78 CASP1 (0.49) GRM5
SCHEMBL22401619 0.74 MAPK1 (0.57) PARP10PARP11PARP1PRKACAPRKACG
SCHEMBL30661991 0.74 PARP11 (0.49) PARP10PARP11PARP1PDPK1PRKACA

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-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed