SCHEMBL9401426

SCHEMBL9401426

COc1cc(OC)nc(SC(C=O)C(C)(C)c2cccc(C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.44
EDNRA P25101 7/20 0.44
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9383894 0.88 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401297 0.87 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401419 0.87 MAPT (0.35) EDNRBEDNRA
SCHEMBL9401288 0.87 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401404 0.87 NPC1 (0.34) EDNRBEDNRA
SCHEMBL9401362 0.86 EDNRB (0.41) EDNRBEDNRACYP1A2CYP3A4CYP2C9
SCHEMBL9401357 0.83 MEN1 (0.35) EDNRBEDNRACYP1A2
SCHEMBL9401302 0.81 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401401 0.81 EDNRB (0.32) EDNRBEDNRA
SCHEMBL9401470 0.81 EDNRB (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