SCHEMBL4763164

SCHEMBL4763164

Cn1cc(C=Cc2c([N+](=O)[O-])c(=O)n(Cc3ccncc3)c(=O)n2Cc2ccncc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.42
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MITF O75030 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PDE4A P27815 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4763160 1.00 PARG (0.42) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4769488 0.92 PARG (0.37) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4769485 0.92 PARG (0.37) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4762625 0.89 P2RX3 (0.39) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4762628 0.89 P2RX3 (0.39) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4763446 0.87 MAPT (0.52) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4763451 0.87 MAPT (0.52) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4769440 0.87 PARG (0.36) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4769434 0.87 PARG (0.36) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4762695 0.85 MAPT (0.36) PARGMAPTPOLBSMN1; SMN2MEN1

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-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed