SCHEMBL9401586

SCHEMBL9401586

COc1cc(OC)nc(SC(C=O)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
PDE2A O00408 5/20 0.33
MAOB P27338 1/20 0.32
CBLB Q13191 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
SORT1 Q99523 1/20 0.32
DGKZ Q13574 1/20 0.32

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
SCHEMBL9401343 0.88 TP53 (0.33) EDNRBEDNRA
SCHEMBL9401354 0.85 GAA (0.39) EDNRBEDNRA
SCHEMBL9572237 0.84 EDNRB (0.36) PTGESALOX5PPARGEDNRBEDNRA
SCHEMBL9401337 0.83 EDNRB (0.38) EDNRBEDNRA
SCHEMBL9401376 0.83 L3MBTL1 (0.34)
SCHEMBL9401440 0.82 PTGES (0.40) PTGESALOX5PPARGEDNRBEDNRA
SCHEMBL9401309 0.80 PTGES (0.39) PTGESALOX5PPARG
SCHEMBL9401212 0.79 PTGES (0.39) PTGESALOX5
SCHEMBL9401347 0.78 MEN1 (0.39)
SCHEMBL9401387 0.77 EDNRB (0.38) 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