SCHEMBL9775686

SCHEMBL9775686

CC(C)Oc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
PPOX P50336 2/20 0.41
ESPL1 Q14674 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
EGFR P00533 1/20 0.37
CSNK2A1 P68400 2/20 0.36
VCAM1 P19320 2/20 0.36
RORC P51449 1/20 0.36
CYP19A1 P11511 2/20 0.36
XDH P47989 1/20 0.36
LMNA P02545 2/20 0.35
S1PR4 O95977 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL2794730 0.94 PDK1 (0.45) PDK1PPOXESPL1TDP1ATM
SCHEMBL10812032 0.86 MEN1 (0.44) PDK1ESPL1TDP1ATMALDH1A1
SCHEMBL27600278 0.85 PDK1 (0.48) PDK1ALDH1A1EGFRCSNK2A1VCAM1
SCHEMBL27496659 0.85 PDK1 (0.51) PDK1TDP1ALDH1A1CSNK2A1VCAM1
SCHEMBL29278716 0.84 ALDH1A1 (0.43) PDK1PPOXTDP1ALDH1A1LMNA
SCHEMBL29278717 0.84 ALDH1A1 (0.43) PDK1PPOXTDP1ALDH1A1LMNA
SCHEMBL4647191 0.83 PDK1 (0.43) PDK1ESPL1TDP1ATMALDH1A1
SCHEMBL7220333 0.82 PPOX (0.40) PDK1PPOXTDP1ALDH1A1LMNA
SCHEMBL30127220 0.82 ALDH1A1 (0.47) PPOXESPL1TDP1ATMALDH1A1
SCHEMBL193774 0.82 ALDH1A1 (0.47) PPOXESPL1TDP1ATMALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58079960-A None JP disclosed
CN-119613398-A Tetra-substituted phenyl ether (thioether) compound containing alkoxy acetate substituent and application thereof 江西天宇化工有限公司 2025-03-14 CN disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
US-5030761-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-09 US disclosed
US-4906286-A Herbicidal 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs thereof FMC CORPORATION (US) 1990-03-06 US disclosed
US-4842640-A HIGH ACTIVITY; RICE RHONE-POULENC AGROCHIMIE (FR) 1989-06-27 US disclosed
EP-0185731-A4 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-11-02 EP disclosed
US-4766233-A Herbicidal 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs thereof FMC CORPORATION (US) 1988-08-23 US disclosed
EP-0274249-A1 Oxadiazolone derivative, production process thereof, and herbicide containing same RHONE-POULENC AGROCHIMIE (FR) 1988-07-13 EP disclosed
WO-1988004653-A1 OXADIAZOLONE DERIVATIVE, PRODUCTION PROCESS THEREOF, AND HERBICIDE CONTAINING SAME SHOWA RHODIA CHEMICALS KABUSHIKI KAISHA (JP) 1988-06-30 WO disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 EP 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-4431822-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-02-14 US disclosed
US-4427438-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 US disclosed
JP-S5879960-A O-FLUORONITROBENZENE DERIVATIVE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1983-05-13 JP 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-0069855-A2 N-(2-fluoro-4-halo-5-substituted phenyl)hydantoins, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-01-19 EP disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 EP disclosed