SCHEMBL9401461

SCHEMBL9401461

COc1cc(OC)nc(SC(CO)C(C)(C)c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.42
EDNRA P25101 3/20 0.42
GAA P10253 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SQOR Q9Y6N5 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
SCHEMBL9572233 0.90 PTGES (0.40) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401350 0.89 EDNRB (0.41) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401569 0.88 EDNRB (0.34) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401653 0.88 EDNRB (0.42) EDNRBEDNRA
SCHEMBL9401423 0.88 ALOX5 (0.32) EDNRBEDNRAPTGESALOX5PPARG
SCHEMBL9401292 0.87 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401427 0.87 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401429 0.84 EDNRB (0.34) EDNRBEDNRAGAA
SCHEMBL9401378 0.83 EDNRB (0.34) EDNRBEDNRASMN1; SMN2
SCHEMBL9401408 0.83 EDNRB (0.36) 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