7-F-D-Diboa

7-F-D-Diboa

SCHEMBL4264755

O=C1COc2cc(F)ccc2N1O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NR3C2 P08235 8/20 0.40
NR3C1 P04150 4/20 0.40
PGR P06401 3/20 0.40
NPY5R Q15761 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
6-F-D-Diboa SCHEMBL4261735 0.87 ALDH1A1 (0.41) NR3C2NR3C1PGRNPY5RCYP3A4
SCHEMBL22077625 0.80 CYP11B2 (0.53) CHRM5CHRM1CHRM3NR3C2NR3C1
SCHEMBL30871932 0.80 KMO (0.48) NPY5RKDM4EMAPTMEN1KMT2A
SCHEMBL17363932 0.80 CHRM5 (0.41) CHRM5CHRM1CHRM3NR3C2NR3C1
SCHEMBL24208910 0.78 CHRM5 (0.46) CHRM5CHRM1CHRM3NR3C2NR3C1
SCHEMBL29915336 0.76 L3MBTL1 (0.48) CYP3A4GAAKDM4EALDH1A1MAPT
SCHEMBL9275467 0.76 CHRM5 (0.57) CHRM5CHRM1CHRM3NR3C2NPY5R
SCHEMBL10533924 0.76 TSHR (0.60) CHRM5CHRM1CHRM3NPY5RGAA
SCHEMBL2748218 0.75 TSHR (0.53) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL30581468 0.75 TSHR (0.53) GAAKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059850-A1 PHYTOTOXIC HALOGENATED DERIVATIVES OF BENZOXAZINONES UNIVERSIDAD DE CÁDIZ (ES) 2011-03-10 US claimed
EP-2048136-A1 PHYTOTOXIC HALOGENATED DERIVATIVES OF BENZOXAZINONES Universidad de Cadiz (ES) 2009-04-15 EP disclosed
EP-0477677-B1 Herbicidally active benzoxazines BAYER AGROCHEM KK (JP) 1996-04-10 EP disclosed
US-5342938-A Herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-30 US disclosed
US-5207818-A HERBICIDALLY ACTIVE BENZOXAZINES NIHON BAYER AGROCHEM K.K. (JP) 1993-05-04 US disclosed
EP-0477677-A1 Herbicidally active benzoxazines NIHON BAYER AGROCHEM K.K. (JP) 1992-04-01 EP disclosed