SCHEMBL9401429

SCHEMBL9401429

COc1cc(OC)nc(SC(CO)C(C)(C)c2cc(F)ccc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34
CNR2 P34972 1/20 0.32
NR3C1 P04150 6/20 0.30
NR3C2 P08235 4/20 0.30
GAA P10253 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
SCHEMBL9401601 0.87 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9401461 0.84 EDNRB (0.42) EDNRBEDNRAGAA
SCHEMBL9401569 0.82 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401427 0.81 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9572232 0.80 EDNRB (0.35) EDNRBEDNRACNR2GAA
SCHEMBL9401481 0.79 CASR (0.35) EDNRBEDNRAGAA
SCHEMBL9572245 0.79 EDNRB (0.34) EDNRBEDNRAGAA
SCHEMBL9401469 0.79 CTSA (0.35) EDNRBEDNRA
SCHEMBL9401625 0.78 NPSR1 (0.34) EDNRBEDNRA
SCHEMBL9401284 0.78 ALDH1A1 (0.34) EDNRBEDNRA

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