SCHEMBL8760591

SCHEMBL8760591

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
VCAM1 P19320 2/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 3/20 0.37
HSPB1 P04792 1/20 0.37
MAPT P10636 4/20 0.37
GPR35 Q9HC97 1/20 0.37
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
ESPL1 Q14674 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2030437 0.91 CUL4A (0.42) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL9444998 0.89 TDP1 (0.39) TDP1ATMVCAM1LMNAALDH1A1
SCHEMBL9444990 0.89 TDP1 (0.39) TDP1ATMVCAM1LMNAALDH1A1
SCHEMBL17466056 0.88 LMNA (0.40) TDP1ATMVCAM1LMNAALDH1A1
SCHEMBL31047098 0.87 CUL4A (0.45) TDP1VCAM1LMNAALDH1A1MEN1
SCHEMBL810673 0.87 CUL4A (0.45) TDP1VCAM1LMNAALDH1A1MEN1
SCHEMBL9730100 0.87 VCAM1 (0.42) TDP1ATMVCAM1LMNAALDH1A1
SCHEMBL30225347 0.85 VCAM1 (0.46) VCAM1LMNAALDH1A1MEN1KMT2A
SCHEMBL11347001 0.85 VCAM1 (0.46) VCAM1LMNAALDH1A1MEN1KMT2A
SCHEMBL8084425 0.84 TSHR (0.40) TDP1LMNAALDH1A1MAPTESPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5017411-A None JP disclosed
JP-5043525-A None JP disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
US-5191105-A Chemical intermediates SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1993-03-02 US disclosed
JP-H0543525-A DIPHENYL CARBONATE DERIVATIVE AND ITS PRODUCTION SAGAMI CHEM RES CENTER 1993-02-23 JP disclosed
JP-H0517411-A BIS(2-CHLORO-4-FLUORO-5-NITROPHENYL) CARBONATE AND ITS PRODUCTION SAGAMI CHEM RES CENTER 1993-01-26 JP disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP 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
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
EP-0185731-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1986-07-02 EP disclosed
WO-1986000072-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1986-01-03 WO disclosed