SCHEMBL16638071

SCHEMBL16638071

COC(=O)c1csc(N(C(=O)OC(C)(C)C)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GSTO1 P78417 1/20 0.37
CHEK1 O14757 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PAX8 Q06710 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL23554173 0.81 GSTO1 (0.55) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL23554220 0.77 MEN1 (0.53) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL23554175 0.77 GSTO1 (0.49) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL504005 0.74 L3MBTL1 (0.55) MEN1KMT2AALDH1A1GSK3BNPC1
SCHEMBL14075912 0.71 NPC1 (0.36) KDM4EMEN1KMT2AMAPTPAX8
SCHEMBL4600961 0.70 NPC1 (0.36) KDM4EMEN1KMT2AMAPTPAX8
SCHEMBL29235800 0.70 GSTO1 (0.40) HPGDSMAOAACHEMEN1KMT2A
SCHEMBL30073325 0.69 F2 (0.47) KDM4EMEN1KMT2APAX8GSK3B
SCHEMBL19512762 0.69 L3MBTL1 (0.42) LMNAKDM4EMEN1KMT2APAX8
SCHEMBL2880226 0.69 NPC1 (0.53) LMNAKDM4EMEN1KMT2AMAPT

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
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed