SCHEMBL7978101

SCHEMBL7978101

COC(=O)C1SC(c2ccc(C)cc2)SCC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SLC6A3 Q01959 6/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 3/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL8552512 0.78 MAPT (0.37) MAPTSLC6A3SLC6A2SLC6A4TP53
SCHEMBL25860652 0.65 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4TP53
SCHEMBL19397276 0.63 POLB (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL3058001 0.63 KMT2A (0.35)
SCHEMBL14097153 0.63 ALDH1A1 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL11842181 0.62 ALDH1A1 (0.38) SLC6A3SLC6A4
SCHEMBL18956093 0.62 SLC6A4 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL12303028 0.62 ALDH1A1 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL31378653 0.61 CYP1A2 (0.34) SLC6A3SLC6A4
SCHEMBL621079 0.61 KMT2A (0.33)

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
US-6281221-B1 Substituted 1,3-dioxan-5-ylamino-hererocyclic compounds, processes for their preparation and their use as pest control compositions HOECHST SCERING AGREVO GMBH (DE) 2001-08-28 US disclosed