SCHEMBL4769488

SCHEMBL4769488

Cn1cc(C=Cc2c([N+](=O)[O-])c(=O)n(Cc3ccoc3)c(=O)n2Cc2ccncc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 6/20 0.37
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MITF O75030 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
PDE4A P27815 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4769485 1.00 PARG (0.37) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4762693 0.95 MAPT (0.36) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4762695 0.95 MAPT (0.36) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4763160 0.92 PARG (0.42) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4763164 0.92 PARG (0.42) PARGMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4763887 0.89 MAPT (0.45) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4763895 0.89 MAPT (0.45) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL4763875 0.87 MEN1 (0.35) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4763878 0.87 MEN1 (0.35) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4770647 0.84 ADORA2A (0.33) MAPTALDH1A1PDE4A

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