SCHEMBL8485253

SCHEMBL8485253

O=C=Nc1cc([N+](=O)[O-])c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 2/20 0.42
VCAM1 P19320 1/20 0.40
ESPL1 Q14674 1/20 0.39
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
MMP2 P08253 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 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
SCHEMBL8087922 0.85 TSHR (0.40) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL19554176 0.80 TDP1 (0.40) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL11555859 0.77 TDP1 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL5166036 0.77 PDGFRB (0.40) TDP1ATMALDH1A1VCAM1ESPL1
SCHEMBL160626 0.76 CYP3A4 (0.38) TDP1ALDH1A1HPGDMAPK1CYP3A4
SCHEMBL45486 0.76 TDP1 (0.60) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL19136001 0.75 SLC6A4 (0.37) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL58080 0.74 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29403879 0.74 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL78800 0.74 ALDH1A1 (0.53) TDP1ATMALDH1A1HIF1AVCAM1

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
US-5883049-A Hydantoin derivatives and herbicides containing said derivatives as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-03-16 US disclosed
EP-0801068-A1 HYDANTOIN DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND HERBICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-10-15 EP disclosed
EP-0413832-A1 OXAZOLIDINEDIONE DERIVATIVES AND PRODUCTION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-02-27 EP disclosed