SCHEMBL8087922

SCHEMBL8087922

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
VCAM1 P19320 6/20 0.38
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
MERTK Q12866 2/20 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
SCHEMBL8149810 0.86 TSHR (0.39) TSHRMAPK1ALDH1A1CYP3A4VCAM1
SCHEMBL8485253 0.85 TDP1 (0.43) MAPK1ALDH1A1CYP3A4VCAM1TDP1
SCHEMBL10956632 0.81 MAPK1 (0.43) TSHRMAPK1ALDH1A1CYP3A4VCAM1
SCHEMBL19136001 0.81 SLC6A4 (0.37) TSHRMAPK1ALDH1A1CYP3A4VCAM1
SCHEMBL7931545 0.79 TDP1 (0.45) MAPK1ALDH1A1CYP3A4TDP1HPGD
SCHEMBL7021511 0.78 HPGD (0.53) MAPK1ALDH1A1TDP1ATMLMNA
SCHEMBL10347965 0.77 TDP1 (0.39) MAPK1ALDH1A1CYP3A4TDP1HPGD
SCHEMBL29653309 0.77 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4VCAM1
SCHEMBL2477068 0.77 TSHR (0.52) TSHRMAPK1ALDH1A1CYP3A4VCAM1
SCHEMBL19554176 0.76 TDP1 (0.40) TSHRMAPK1ALDH1A1CYP3A4VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060432-A SYNERGISTIC MIXTURE; CROPS, AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-09 US disclosed
EP-0977760-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-02-09 EP disclosed
US-5883049-A Hydantoin derivatives and herbicides containing said derivatives as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-03-16 US disclosed
WO-1998047904-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-10-29 WO disclosed
EP-0862571-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-09 EP disclosed
CN-1175255-A Hydantoin derivatives, process for producing the same and herbicides comprising the same as active ingredients SAGAMI CHEM RES (JP) 1998-03-04 CN 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-0638563-B1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1997-10-15 EP disclosed
WO-1997015576-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-01 WO disclosed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
EP-0638563-A1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1995-02-15 EP disclosed