SCHEMBL11058765

SCHEMBL11058765

CCOc1nc(C)nc(OC)c1NC(N)=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HRH2 P25021 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 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
SCHEMBL10957823 0.89 ALDH1A1 (0.37) MAPTTDP1ALDH1A1HTTGAA
SCHEMBL11058255 0.87 GAA (0.31) MAPTALDH1A1GAALMNA
SCHEMBL11066089 0.80 MAPT (0.36) MAPTKDM4EALDH1A1HTTGAA
SCHEMBL11065024 0.78 LMNA (0.46) TDP1ALDH1A1HTTKMT2ALMNA
SCHEMBL11058744 0.76 MEN1 (0.33) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL10959912 0.76 MAPT (0.36) MAPTKDM4EALDH1A1HTTGAA
SCHEMBL11062612 0.75 HTT (0.35) MAPTTDP1ALDH1A1HTTGAA
SCHEMBL11062388 0.72
SCHEMBL10956420 0.72 MAPT (0.36) MAPTTDP1ALDH1A1HTTGAA
SCHEMBL11055958 0.71 HTT (0.40) MAPTKDM4ETDP1ALDH1A1HTT

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-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 US disclosed