SCHEMBL9401445

SCHEMBL9401445

COc1cc(OC)nc(SC(C=O)C(C)(C)c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.44
EDNRA P25101 7/20 0.44
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9572245 0.87 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401326 0.87 EDNRB (0.33) EDNRBEDNRA
SCHEMBL9401500 0.86 SMN1; SMN2 (0.34) EDNRBEDNRA
SCHEMBL9383894 0.83 EDNRB (0.41) EDNRBEDNRA
SCHEMBL9401302 0.81 EDNRB (0.34) EDNRBEDNRA
SCHEMBL9401457 0.81 EDNRB (0.42) EDNRBEDNRA
SCHEMBL9401297 0.80 EDNRB (0.45) EDNRBEDNRA
SCHEMBL9401401 0.79 EDNRB (0.32) EDNRBEDNRA
SCHEMBL9401601 0.79 EDNRB (0.44) EDNRBEDNRANPC1CYP1A2RAB9A
SCHEMBL9401357 0.79 MEN1 (0.35) EDNRBEDNRACYP1A2

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