SCHEMBL8991012

SCHEMBL8991012

CCOCn1c(N)c(SC(N)=O)c2c(NC)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.33
P2RY1 P47900 2/20 0.31
RET P07949 2/20 0.31

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
SCHEMBL8991298 0.88 RET (0.33) P2RY1RET
SCHEMBL7701709 0.87 RET (0.36) RET
SCHEMBL8991228 0.86 PDE4A (0.37) RET
SCHEMBL8991176 0.80 XDH (0.31) XDH
SCHEMBL8990972 0.79 MEN1 (0.46)
SCHEMBL8991147 0.78 GAA (0.39)
SCHEMBL8991163 0.78 YTHDC1 (0.31)
SCHEMBL8991004 0.78 YTHDC1 (0.31)
SCHEMBL8991328 0.78 ALDH1A1 (0.44)
SCHEMBL7700322 0.78 ADK (0.33) XDHP2RY1

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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed