SCHEMBL7729097

SCHEMBL7729097

Nc1cc(N2C(=O)c3ccccc3C2=O)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
PMP22 Q01453 1/20 0.56
SCN2A Q99250 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CASP6 P55212 1/20 0.42
CYP2C9 P11712 1/20 0.41
GRM4 Q14833 1/20 0.41
GRM1 Q13255 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6683298 0.88 CYP3A4 (0.60) CYP3A4NFKB1PMP22SCN2AMEN1
SCHEMBL7731694 0.87 ESR1 (0.46) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL5388823 0.81 ESR1 (0.49) CYP3A4NFKB1PMP22SCN2AMEN1
SCHEMBL30566764 0.81 ESR1 (0.49) CYP3A4NFKB1PMP22SCN2AMEN1
SCHEMBL6789421 0.80 FYN (0.39) CYP3A4NFKB1PMP22SCN2ACYP2C9
SCHEMBL28957692 0.78 CYP3A4 (0.46) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL5388798 0.78 PPOX (0.56) CYP3A4NFKB1PMP22SCN2AMEN1
SCHEMBL7770396 0.77 PPOX (0.45) GRM4
SCHEMBL7731446 0.77 LMNA (0.47) CYP3A4NFKB1PMP22SCN2AMEN1
SCHEMBL30273429 0.76 MEN1 (0.53) CYP3A4NFKB1PMP22SCN2AMEN1

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