SCHEMBL9401467

SCHEMBL9401467

COc1cc(OC)nc(SC(C=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
CYP19A1 P11511 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PABPC1 P11940 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1G2 P78368 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPBWR1 P48145 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9401362 0.84 EDNRB (0.41) PTGESALOX5ALDH1A1CYP2C19
SCHEMBL9401457 0.83 EDNRB (0.42) PTGESALOX5HTTSMN1; SMN2
SCHEMBL9572231 0.81 PTGES (0.41) PTGESALOX5MAPTLMNAPOLB
SCHEMBL9401357 0.79 MEN1 (0.35) MEN1KMT2A
SCHEMBL9401470 0.79 EDNRB (0.34) SMN1; SMN2
SCHEMBL9401212 0.79 PTGES (0.39) PTGESALOX5MAPTLMNAPTGS2
SCHEMBL9401426 0.77 EDNRB (0.44) CYP2C19
SCHEMBL9401404 0.76 NPC1 (0.34) ALDH1A1
SCHEMBL9401419 0.76 MAPT (0.35) MAPTLMNAMEN1KMT2A
SCHEMBL9401288 0.76 EDNRB (0.33)

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