SCHEMBL4692237

SCHEMBL4692237

CSC(C)(C)CN(C)C(=O)c1cn2c(nc3ccc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)cc32)s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 4/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 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
SCHEMBL4692243 1.00 GRM1 (0.46) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4692246 0.94 GRM1 (0.39) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL5544763 0.90 GRM1 (0.41) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL5542933 0.88 GRM1 (0.42) GRM1MEN1KMT2AL3MBTL1TP53
SCHEMBL5542942 0.88 GRM1 (0.42) GRM1MEN1KMT2AL3MBTL1TP53
SCHEMBL4689299 0.88 GRM1 (0.45) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4692984 0.88 GRM1 (0.47) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4693604 0.86 GRM1 (0.53) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4694653 0.85 GRM1 (0.43) GRM1MEN1KMT2AGAATP53
SCHEMBL4691276 0.84 GRM1 (0.44) GRM1MEN1KMT2AL3MBTL1GAA

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