SCHEMBL6010814

SCHEMBL6010814

O=C1NC(O)c2nccnc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.32

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
SCHEMBL20182463 0.64 TNKS2 (0.32)
SCHEMBL21125732 0.62 ALDH1A1 (0.32)
SCHEMBL20850174 0.62
SCHEMBL841473 0.61 TNKS2 (0.30)
SCHEMBL3500581 0.61 ALDH1A1 (0.37)
SCHEMBL3028579 0.61 GSK3B (0.32)
SCHEMBL20672310 0.61 DYRK1A (0.35)
SCHEMBL5745004 0.61 GDA (0.36) GDA
SCHEMBL28856320 0.58
SCHEMBL17159951 0.57 ALDH1A1 (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006086545-A2 METHOD TO IDENTIFY NOVEL THERAPEUTICS DESIMONE ROBERT W (US) 2006-08-17 WO claimed
WO-2006086545-A2 METHOD TO IDENTIFY NOVEL THERAPEUTICS DESIMONE ROBERT W (US) 2006-08-17 WO disclosed