SCHEMBL8259690

SCHEMBL8259690

O=c1[nH]c2c(c(=O)[nH]1)CN=N2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GDA Q9Y2T3 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
SCHEMBL8256867 0.65
SCHEMBL170835 0.56 GDA (0.35) GDA
SCHEMBL2733971 0.56 GDA (0.34) GDA
SCHEMBL1621750 0.55 ALDH1A1 (0.91) ALDH1A1MAPT
SCHEMBL31233784 0.55 ALDH1A1 (0.50) ALDH1A1MAPTGDA
SCHEMBL3109830 0.55 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL4047409 0.53 RPS6KA3 (0.34) ALDH1A1MAPTGDA
SCHEMBL3114509 0.53 ALDH1A1 (0.87) ALDH1A1MAPT
SCHEMBL1620313 0.53 ALDH1A1 (0.48) ALDH1A1MAPTGDA
SCHEMBL19221649 0.53 ALDH1A1 (0.87) ALDH1A1MAPT

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
WO-2006083687-A1 CRYSTAL SALT OF XANTHINE OXIDASE INHIBITORS CARDIOME PHARMA CORP. (CA) 2006-08-10 WO disclosed