SCHEMBL8553521

SCHEMBL8553521

C#CCOc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
LMNA P02545 2/20 0.38
S1PR4 O95977 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 1/20 0.35
PTGES O14684 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
ESPL1 Q14674 1/20 0.33
SNCA P37840 1/20 0.33
VCAM1 P19320 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NR1I2 O75469 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL24696926 0.80 VCAM1 (0.38) LMNAS1PR4ATMTDP1ALDH1A1
SCHEMBL30892384 0.80 VCAM1 (0.38) LMNAS1PR4ATMTDP1ALDH1A1
SCHEMBL8877173 0.78 S1PR4 (0.39) LMNAS1PR4ATMTDP1ALDH1A1
SCHEMBL9445017 0.78 S1PR4 (0.45) LMNAS1PR4ALDH1A1HPGDMAPT
SCHEMBL9048525 0.77 MAPT (0.39) LMNAS1PR4ATMTDP1ALDH1A1
SCHEMBL27346707 0.76 ALDH1A1 (0.41) LMNAALDH1A1HPGDMAPT
SCHEMBL30127220 0.75 ALDH1A1 (0.47) LMNAATMTDP1ALDH1A1HIF1A
SCHEMBL193774 0.75 ALDH1A1 (0.47) LMNAATMTDP1ALDH1A1HIF1A
SCHEMBL810879 0.75 PTGES (0.54) ATMPTGESPOLBMAPT
SCHEMBL31442504 0.75 PTGES (0.54) ATMPTGESPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863142-A1 Heterocyclic herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-09 EP disclosed
US-4835324-A Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-30 US disclosed
US-4736068-A Tetrahydrophthalimides and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-05 US disclosed
US-4622063-A 4-(2-fluoro-4-halo-5-substituted phenyl)urazols, and herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-11-11 US disclosed
US-4593094-A INTERMEDIATES FOR HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-03 US disclosed
US-4579688-A USING PHENYL ISOCYANATE CHEMICAL INTERMEDIATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-01 US disclosed
EP-0075267-B1 4-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL)URAZOLS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-15 EP disclosed
EP-0070389-B1 2-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL) HYDANTOINS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-02 EP disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 EP disclosed
US-4484941-A Tetrahydrophthalimides, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-27 US disclosed
US-4452981-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-05 US disclosed
US-4437877-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4427438-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 US disclosed
EP-0075267-A1 4-(2-Fluoro-4-halo-5-substituted phenyl)urazols, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-30 EP disclosed
EP-0070389-A2 2-(2-Fluoro-4-halo-5-substituted phenyl) hydantoins, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-01-26 EP disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 EP disclosed