SCHEMBL11058744

SCHEMBL11058744

CCOc1nc(C)c(NC(N)=S)c(OCC)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11059523 0.76 ALDH1A1 (0.34) KMT2ATSHRALDH1A1HTT
SCHEMBL11058765 0.76 ADORA3 (0.34) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL11060997 0.73 MEN1 (0.36) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL10959912 0.72 MAPT (0.36) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL11058255 0.72 GAA (0.31) ALDH1A1LMNAMAPT
SCHEMBL11062426 0.69 MAPT (0.34) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL11062101 0.69 HTT (0.33) KMT2AHTT
SCHEMBL11062622 0.68 CDK1 (0.33) MEN1KMT2ALMNAMAPT
SCHEMBL11066089 0.68 MAPT (0.36) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL11061474 0.68 L3MBTL1 (0.34) MEN1KMT2ACYP1A2HTTMAPT

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