SCHEMBL11059523

SCHEMBL11059523

COc1nc(C)c(NC(N)=S)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11062612 0.90 HTT (0.35) ALDH1A1HTTKMT2ATDP1
SCHEMBL11061561 0.82 HTT (0.33) ALDH1A1HTTKMT2ATDP1
SCHEMBL11069778 0.82 ALDH1A1 (0.36) ALDH1A1HTTTSHRKMT2ATDP1
SCHEMBL10957823 0.79 ALDH1A1 (0.37) ALDH1A1HTTKMT2ATDP1
SCHEMBL11058744 0.76 MEN1 (0.33) ALDH1A1HTTTSHRKMT2A
SCHEMBL11062434 0.73 MAPT (0.36) ALDH1A1HTT
SCHEMBL11065024 0.72 LMNA (0.46) ALDH1A1HTTKMT2ATDP1
SCHEMBL11055958 0.71 HTT (0.40) ALDH1A1HTTKMT2ATDP1
SCHEMBL11058164 0.70 ALDH1A1 (0.41) ALDH1A1HTTTSHRKMT2ATDP1
SCHEMBL11058765 0.70 ADORA3 (0.34) ALDH1A1HTTKMT2ATDP1

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