SCHEMBL9714508

SCHEMBL9714508

O=[N+]([O-])c1ccc(OC(F)(F)C(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
CETP P11597 4/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
HSPB1 P04792 2/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
VCAM1 P19320 1/20 0.36
RAPGEF3 O95398 1/20 0.36
PTPN1 P18031 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 2/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL10590859 0.90 TDP1 (0.46) TDP1ATMCETPALDH1A1HIF1A
SCHEMBL10589912 0.90 TDP1 (0.46) TDP1ATMCETPALDH1A1HIF1A
SCHEMBL10590180 0.88 TDP1 (0.47) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL10591334 0.88 TDP1 (0.47) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL10590571 0.87 ATM (0.44) TDP1ATMCETPALDH1A1HIF1A
SCHEMBL30532293 0.85 ATM (0.55) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL969906 0.85 ATM (0.55) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL10590498 0.85 ATM (0.42) TDP1ATMCETPALDH1A1HIF1A
SCHEMBL10590577 0.83 ATM (0.40) TDP1ATMCETPALDH1A1HIF1A
SCHEMBL692339 0.82 ATM (0.55) TDP1ATMALDH1A1HIF1AHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157155-A Insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-20 US disclosed
EP-0277748-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-4985460-A Ovicide and Chemosterilant for Insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
US-4904696-A Benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-27 US disclosed
EP-0277748-A1 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-10 EP disclosed