SCHEMBL4691975

SCHEMBL4691975

CC(C)(C)OC(=O)N(Cc1ccc2c(c1)nc1sc(C(=O)NCCCCO)cn12)CC1CCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
ATM Q13315 3/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RCE1 Q9Y256 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4691968 0.94 GRM1 (0.42) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL5539815 0.94 GRM1 (0.38) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL4691279 0.90 GRM1 (0.38) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL4692988 0.88 GRM1 (0.41) GRM1MEN1KMT2AALDH1A1GAA
SCHEMBL5542947 0.88 GRM1 (0.36) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL4689303 0.87 MEN1 (0.40) GRM1MEN1KMT2AALDH1A1GAA
SCHEMBL4691276 0.84 GRM1 (0.44) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL4691273 0.84 GRM1 (0.44) GRM1MEN1KMT2AALDH1A1HPGD
SCHEMBL4694655 0.84 MEN1 (0.38) GRM1MEN1KMT2AALDH1A1GAA
SCHEMBL4693608 0.83 GRM1 (0.46) GRM1MEN1KMT2AALDH1A1GAA

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