SCHEMBL7701571

SCHEMBL7701571

NC(=S)c1cn(CCCc2ccc(F)cc2)c2ncnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
RET P07949 4/20 0.36
SRC P12931 4/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
LCK P06239 2/20 0.35
TEK Q02763 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
IGF1R P08069 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7698006 0.89 EIF2AK3 (0.41) RETSRCNSD2NSD3EIF2AK3
SCHEMBL7701506 0.81 ADORA2A (0.53) ALDH1A1HTTNPC1GALR3S1PR4
SCHEMBL7701572 0.80 EIF2AK3 (0.37) HTTMAPTRETSRCNSD2
SCHEMBL7701585 0.77 ADRA1D (0.48) SRCLCKTEKIGF1RADORA2A
SCHEMBL7699582 0.76 LRRK2 (0.43) ALDH1A1HTTMAPTSRCLCK
SCHEMBL7700275 0.74 CFD (0.47) ALDH1A1HTTMAPTRETEIF2AK3
SCHEMBL7698503 0.74 HTT (0.43) ALDH1A1HTTNPC1GALR3S1PR4
SCHEMBL7696370 0.74 ADORA2A (0.51) ALDH1A1HTTNPC1GALR3S1PR4
SCHEMBL7705467 0.72 EGFR (0.45) ALDH1A1HTTNPC1GALR3S1PR4
SCHEMBL7704452 0.72 HTT (0.41) ALDH1A1HTTNPC1GALR3S1PR4

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed