SCHEMBL7980484

SCHEMBL7980484

CCCN(C(=O)Cl)C1CCSC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.33
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL7994900 0.90 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7786917 0.80 SLC6A4 (0.36) PYGLSLC6A2SLC6A4SLC6A3
SCHEMBL8034863 0.77 ADH1A (0.46) PYGLSLC6A4
SCHEMBL7994564 0.75 L3MBTL1 (0.33) SLC6A2SLC6A4
SCHEMBL8903152 0.75 ADH1A (0.47) PYGL
SCHEMBL8041770 0.75 ADH1A (0.47) PYGL
SCHEMBL8977190 0.74 SLC6A4 (0.33) PYGLSLC6A2SLC6A4SLC6A3
SCHEMBL8426463 0.74 DPP4 (0.36) PYGL
SCHEMBL7992320 0.72 PIK3CD (0.47) PYGLSLC6A2SLC6A4SLC6A3
SCHEMBL8977205 0.71 CA12 (0.37) PYGLSLC6A2SLC6A4SLC6A3

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
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed