SCHEMBL7852096

SCHEMBL7852096

C=CCS(=O)(=O)C1=Cc2ccccc2SN=C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
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
SCHEMBL27499136 0.76 TSHR (0.31)
SCHEMBL27499741 0.71 ALDH1A1 (0.40) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL7851348 0.69 L3MBTL1 (0.35) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL27366019 0.66 TRPA1 (0.31)
SCHEMBL7849227 0.63 TRPA1 (0.33)
SCHEMBL27528699 0.63 TRPA1 (0.33)
SCHEMBL7845259 0.63 TRPA1 (0.33)
SCHEMBL19279367 0.61
SCHEMBL140625 0.60 PSIP1 (0.54) ALDH1A1MEN1LMNAMAPTHTT
Benzene SCHEMBL28057885 0.60 PSIP1 (0.54) ALDH1A1MEN1LMNAMAPTHTT

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-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed