SCHEMBL11066089

SCHEMBL11066089

CCOc1ncnc(OC)c1NC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
APLNR P35414 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL10959912 0.94 MAPT (0.36) MAPTGAAHTTALDH1A1L3MBTL1
SCHEMBL10956420 0.90 MAPT (0.36) MAPTGAAHSD17B10HTTAPLNR
SCHEMBL11055924 0.87 MAPK1 (0.38) HSD17B10HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL11063670 0.85 CDC7 (0.34) MAPTLMNASMN1; SMN2
SCHEMBL11062434 0.81 MAPT (0.36) MAPTHTTAPLNRALDH1A1L3MBTL1
SCHEMBL11058765 0.80 ADORA3 (0.34) MAPTGAAHTTALDH1A1L3MBTL1
SCHEMBL11069400 0.80 MAP3K7 (0.38) MAPTGAAHTTAPLNRALDH1A1
SCHEMBL11061052 0.79 MAPK1 (0.41) GAAHSD17B10HTTALDH1A1HPGD
SCHEMBL11058255 0.79 GAA (0.31) MAPTGAAALDH1A1LMNA
SCHEMBL11058678 0.77 LMNA (0.39) MAPTGAAHSD17B10LMNA

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