SCHEMBL9048525

SCHEMBL9048525

C=C(Cl)COc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ENPP2 Q13822 1/20 0.35
LMNA P02545 2/20 0.35
GPR35 Q9HC97 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL27346707 0.84 ALDH1A1 (0.41) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL29195279 0.82 LMNA (0.58) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL18342871 0.80 MAPT (0.52) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL8877173 0.78 S1PR4 (0.39) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL9445017 0.78 S1PR4 (0.45) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL8553521 0.77 PGK1 (0.39) MAPTPTGESALDH1A1S1PR4ATM
SCHEMBL9686882 0.77 ALDH1A1 (0.48) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL8760591 0.76 TDP1 (0.40) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL10646649 0.76 MAPT (0.39) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL9069145 0.76 TDP1 (0.53) MAPTKDM4EKMT2AALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476697-B1 Benzofuranyl- and benzothiophenyl substituted uracil derivatives, and their production and use as herbicides SUMITOMO CHEMICAL CO (JP) 1996-03-20 EP disclosed
US-5169431-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-12-08 US disclosed
EP-0476697-A1 Benzofuranyl- and benzothiophenyl substituted uracil derivatives, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-25 EP disclosed