SCHEMBL7729247

SCHEMBL7729247

O=C1c2ccc(F)cc2C(=O)N1c1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM1 Q13255 5/20 0.39
GRM4 Q14833 5/20 0.39
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
HSPB1 P04792 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 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
SCHEMBL7731446 0.88 LMNA (0.47) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL7731694 0.79 ESR1 (0.46) ESR1ESR2ARGRM1GRM4
SCHEMBL6677192 0.77 CYP3A4 (0.48) ESR1ESR2ALDH1A1HTTMAPT
SCHEMBL10537797 0.76 GRM7 (0.41) GRM4MAPT
SCHEMBL30566757 0.76 GRM7 (0.41) GRM4MAPT
SCHEMBL7733754 0.74 ESR1 (0.56) ESR1ESR2ARGRM1GRM4
SCHEMBL2891199 0.72 ATM (0.49) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL11305617 0.72 ESR1 (0.57) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL11000006 0.72 ESR1 (0.47) ESR1ESR2ALDH1A1HTTSMN1; SMN2
SCHEMBL17993495 0.70 LMNA (0.45) ESR1ESR2ALDH1A1HTTSMN1; SMN2

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