SCHEMBL7731446

SCHEMBL7731446

O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SCN2A Q99250 2/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL6677192 0.89 CYP3A4 (0.48) LMNACYP3A4NFKB1PMP22ESR1
SCHEMBL7729247 0.88 ESR1 (0.47) LMNAESR1ESR2ALDH1A1HTT
SCHEMBL11000006 0.83 ESR1 (0.47) LMNACYP3A4NFKB1PMP22ESR1
SCHEMBL4198055 0.81 LMNA (0.56) LMNAESR1ESR2SCN2ACA2
SCHEMBL10537797 0.80 GRM7 (0.41) MAPT
SCHEMBL30566757 0.80 GRM7 (0.41) MAPT
SCHEMBL5846779 0.77 LMNA (0.61) LMNAESR1ESR2SCN2ACA2
SCHEMBL30566764 0.77 ESR1 (0.49) CYP3A4NFKB1PMP22ESR1ESR2
SCHEMBL5388823 0.77 ESR1 (0.49) CYP3A4NFKB1PMP22ESR1ESR2
SCHEMBL7729097 0.77 CYP3A4 (0.56) CYP3A4NFKB1PMP22ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365753-B1 EXCELLENT PREFERENTIAL EFFECTS ON WEEDS; GRASSES; NONPHYTOTOXIC TO CROPS E.G. WHEAT; BARLEY; CORN MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-02 US disclosed
EP-1097923-A1 PHTHALIMIDES AND HERBICIDE CONTAINING THE SAME AS ACTIVE COMPONENT MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-09 EP disclosed