SCHEMBL11069400

SCHEMBL11069400

COc1ncnc(OC(C)C)c1NC(N)=S

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
APLNR P35414 1/20 0.35
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GSK3B P49841 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 1/20 0.30
PDGFRB P09619 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
SCHEMBL10956420 0.89 MAPT (0.36) APLNRHTTKMT2ATDP1GAA
SCHEMBL11066089 0.80 MAPT (0.36) APLNRHTTLMNAGAASMN1; SMN2
SCHEMBL11062434 0.80 MAPT (0.36) APLNRHTTALDH1A1MAPTL3MBTL1
SCHEMBL11055924 0.77 MAPK1 (0.38) MAP3K7TAB1HTTKMT2ANPC1
SCHEMBL11063670 0.75 CDC7 (0.34) MAP3K7TAB1KMT2ALMNANPC1
SCHEMBL11058623 0.73 ATR (0.40) MAP3K7TAB1HTTKMT2ATDP1
SCHEMBL10959912 0.72 MAPT (0.36) HTTKMT2ALMNAGAASMN1; SMN2
SCHEMBL11055958 0.71 HTT (0.40) HTTKMT2ATDP1ALDH1A1KDM4E
SCHEMBL11061052 0.69 MAPK1 (0.41) MAP3K7TAB1HTTNPC1GAA
SCHEMBL10957823 0.68 ALDH1A1 (0.37) HTTKMT2ATDP1LMNAGAA

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