SCHEMBL11060997

SCHEMBL11060997

CCOc1ncc(NC(N)=S)c(OCC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GLA P06280 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPK8 P45983 2/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
MAP4K2 Q12851 1/20 0.31
PKN2 Q16513 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
STK17A Q9UEE5 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL11061474 0.91 L3MBTL1 (0.34) MEN1KMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL10959341 0.78 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1CYP1A2CYP3A4
SCHEMBL11060716 0.78 MEN1 (0.36) MEN1KMT2ACYP3A4MAPTMAPK8
SCHEMBL11058186 0.77 ALDH1A1 (0.33) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11059945 0.75 HTT (0.35) KMT2AL3MBTL1CYP1A2CYP3A4GLA
SCHEMBL11064903 0.74 L3MBTL1 (0.37) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11058744 0.73 MEN1 (0.33) MEN1KMT2AL3MBTL1CYP1A2MAPT
SCHEMBL11065726 0.72 XDH (0.37) MEN1KMT2ACYP3A4MAPTMAPK8
SCHEMBL10959912 0.69 MAPT (0.36) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11065100 0.69 MEN1 (0.35) MEN1KMT2AL3MBTL1

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