Sugi Predict

Sugi Predict / Compounds / SCHEMBL4693608

SCHEMBL4693608

SCHEMBL4693608

COCCCCN(C)C(=O)c1cn2c(nc3cc(CN(CC4CCCO4)C(=O)OC(C)(C)C)ccc32)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 3/20 0.46
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ITK Q08881 4/20 0.37
▸ GAA P10253 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL5544676 0.95 GRM1 (0.47) GRM1MEN1KMT2AITKGAA
SCHEMBL4693604 0.95 GRM1 (0.53) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4692988 0.93 GRM1 (0.41) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL5539879 0.88 GRM1 (0.41) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4692984 0.88 GRM1 (0.47) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4689303 0.86 MEN1 (0.40) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4692246 0.86 GRM1 (0.39) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4691279 0.84 GRM1 (0.38) GRM1MEN1KMT2AGAAL3MBTL1
SCHEMBL4694655 0.84 MEN1 (0.38) GRM1MEN1KMT2AGAAALDH1A1
SCHEMBL4691975 0.83 GRM1 (0.36) GRM1MEN1KMT2AGAAL3MBTL1

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
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 — — EP disclosed