SCHEMBL11096145

SCHEMBL11096145

O=c1n(-c2ccccc2)c(=O)n(CCO)n1CCO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.58
▸ GSK3A P49840 7/20 0.58
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PGR P06401 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL1722780 0.77 GSK3B (0.71) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL15354264 0.73 GSK3B (1.00) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL5199351 0.71 GSK3B (0.71) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL11104133 0.71 GSK3B (0.53) GSK3BGSK3ALMNAALDH1A1KDM4E
SCHEMBL3763112 0.69 MAPT (0.54) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL11714057 0.69 MAPT (0.54) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL10523507 0.68 TP53 (0.47) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL30976973 0.68 APEX1 (0.63) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL11791224 0.68 PGR (0.64) GSK3BGSK3ALMNATSHRALDH1A1
SCHEMBL11712403 0.67 FABP4 (0.54) GSK3BGSK3ALMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044420-B1 HYDROXYALKYL-1,2,4-TRIAZOLIDINE-3,5-DIONES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-11-28 — — EP disclosed
US-4377694-A CROSSLINKER, ACTIVATOR FOR POLYESTERS, POLYETHERS, OR POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1983-03-22 — — US disclosed
EP-0044420-A1 Hydroxyalkyl-1,2,4-triazolidine-3,5-diones and process for their preparation BAYER AG (DE) 1982-01-27 — — EP disclosed
Send feedback