SCHEMBL8885482

SCHEMBL8885482

O=c1[nH]ncc2c1N=C[N]2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 1/20 0.34
PRKCI P41743 1/20 0.34
PDE4B Q07343 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
XDH P47989 1/20 0.31
POLB P06746 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
SCHEMBL1064468 0.83 SLC2A1 (0.36) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL1437770 0.71
SCHEMBL5110684 0.67 MAPT (0.38) PARP1
SCHEMBL10766157 0.64 PNP (0.38)
SCHEMBL7014615 0.58 SLC2A1 (0.32) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL4564464 0.56 HSD17B10 (0.50) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL2733971 0.55 GDA (0.34) XDH
SCHEMBL28051130 0.55 SLC2A1 (0.33) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL9521932 0.55
SCHEMBL12118183 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
US-5631259-A PURINE BASE DERIVATIVES FOR NUCLEOSIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed