SCHEMBL7704461

SCHEMBL7704461

Cc1ccccc1Cn1cc(C(N)=S)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
S1PR4 O95977 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
SRC P12931 6/20 0.40
EGFR P00533 3/20 0.40
CDK1 P06493 1/20 0.40
PIK3CD O00329 4/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK2 O43353 1/20 0.39
ABL1 P00519 2/20 0.38
ABL2 P42684 1/20 0.38

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
SCHEMBL7700881 0.88 CFD (0.45) HTTSRCEGFRCDK1PIK3CD
SCHEMBL8991245 0.88 SRC (0.40) HTTSRCEGFRCDK1PIK3CD
SCHEMBL8991412 0.85 PDE4A (0.42) HTTNPC1ALDH1A1RAB9ASRC
SCHEMBL7696370 0.83 ADORA2A (0.51) HTTNPC1GALR3S1PR4ALDH1A1
SCHEMBL7698503 0.81 HTT (0.43) HTTNPC1GALR3S1PR4ALDH1A1
SCHEMBL7697684 0.80 ADRA1D (0.41) HTTNPC1GALR3S1PR4ALDH1A1
SCHEMBL7704465 0.79 EIF2AK3 (0.40) HTTSRCEGFRCDK1PIK3CD
SCHEMBL8991256 0.79 KDM4E (0.40) HTTSRCEGFRCDK1PIK3CD
SCHEMBL7702542 0.78 CFD (0.43) HTTSRCEGFRCDK1PIK3CD
SCHEMBL8991480 0.77 KDM4E (0.44) HTTSRCEGFRCDK1PIK3CD

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