SCHEMBL5542947

SCHEMBL5542947

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
OPRK1 P41145 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 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
SCHEMBL5542933 0.94 GRM1 (0.42) GRM1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5542942 0.94 GRM1 (0.42) GRM1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4691279 0.93 GRM1 (0.38) GRM1MEN1KMT2ACNR2L3MBTL1
SCHEMBL4692246 0.88 GRM1 (0.39) GRM1MEN1KMT2ACNR2L3MBTL1
SCHEMBL4691975 0.88 GRM1 (0.36) GRM1MEN1KMT2ACNR2L3MBTL1
SCHEMBL4691273 0.87 GRM1 (0.44) GRM1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4691276 0.87 GRM1 (0.44) GRM1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4689303 0.87 MEN1 (0.40) GRM1MEN1KMT2ACNR2L3MBTL1
SCHEMBL4694655 0.84 MEN1 (0.38) GRM1MEN1KMT2ACNR2ALDH1A1
SCHEMBL4692237 0.83 GRM1 (0.46) GRM1MEN1KMT2AL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 EP disclosed