SCHEMBL9401326

SCHEMBL9401326

COc1cc(OC)nc(SC(C=O)C(C)(C)c2ccccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.33
EDNRA P25101 5/20 0.33
CTSA P10619 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
SCHEMBL9401401 0.87 EDNRB (0.32) EDNRBEDNRA
SCHEMBL9401445 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9401500 0.87 SMN1; SMN2 (0.34) EDNRBEDNRA
SCHEMBL9383894 0.84 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401362 0.80 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401357 0.80 MEN1 (0.35) EDNRBEDNRA
SCHEMBL9401426 0.80 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9572245 0.79 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401390 0.79 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9387574 0.79 LMNA (0.36)

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
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed