SCHEMBL7700319

SCHEMBL7700319

CCOCn1cc(C(N)=S)c2c(NC)ncnc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
ADK P55263 3/20 0.32
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
P2RY1 P47900 1/20 0.31
YTHDC1 Q96MU7 1/20 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
SCHEMBL8990926 0.88 EGFR (0.32) EGFRSRCADKP2RY1YTHDC1
SCHEMBL7699595 0.87 ADK (0.33) EGFRSRCADKNPC1GALR3
SCHEMBL8991365 0.85 ADORA2A (0.41) EGFRSRCADKNPC1MAPT
SCHEMBL7700980 0.84 NPC1 (0.45) EGFRSRCADKNPC1GALR3
SCHEMBL7700322 0.78 ADK (0.33) EGFRSRCADKP2RY1
SCHEMBL8990936 0.78 ADK (0.33) EGFRSRCADKALDH1A1P2RY1
SCHEMBL8991103 0.78 PDE4A (0.50) EGFRSRCNPC1ALDH1A1MAPT
SCHEMBL8991231 0.77 GAA (0.41) EGFRSRCNPC1GALR3ALDH1A1
SCHEMBL8991004 0.76 YTHDC1 (0.31) EGFRSRCYTHDC1
SCHEMBL8991249 0.76 ADK (0.33) EGFRSRCADKP2RY1

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed