SCHEMBL8552512

SCHEMBL8552512

COC(=O)OC1SC(c2ccc(C)cc2)SCC1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.35
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL7978101 0.78 MAPT (0.38) MAPTTP53SLC6A3SLC6A2SLC6A4
SCHEMBL9567770 0.66 CYP1A2 (0.31)
SCHEMBL2607959 0.59 CYP1A2 (0.35) MAPTKDM4E
SCHEMBL7469088 0.58 CYP1A2 (0.33)
SCHEMBL5132106 0.58 MAPT (0.50) MAPTKDM4E
SCHEMBL28885404 0.57 TUBB4A (0.44) MAPTTP53SLC6A3SLC6A2SLC6A4
SCHEMBL7472185 0.57 CYP1A2 (0.33)
SCHEMBL6862850 0.57 MAPT (0.36) MAPTKDM4E
SCHEMBL16108807 0.56 TDP1 (0.39) TP53KDM4E
SCHEMBL5675317 0.56 KMT2A (0.53) MAPTTP53

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-0836603-A1 SUBSTITUTED 1,3-DIOXAN-5-YLAMINO HETEROCYCLIC COMPOUNDS, METHODS FOR PREPARING THEM AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1998-04-22 EP disclosed
WO-1997002264-A1 SUBSTITUTED 1,3-DIOXAN-5-YLAMINO HETEROCYCLIC COMPOUNDS, METHODS FOR PREPARING THEM AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-01-23 WO disclosed