SCHEMBL8493548

SCHEMBL8493548

COC(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 3/20 0.38
DHODH Q02127 1/20 0.38
HPD P32754 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8490798 0.88 HPD (0.40) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8492271 0.85 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8492171 0.84 MAPT (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8492169 0.84 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8488250 0.84 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8895023 0.82 HPD (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8896420 0.77 HPD (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8897035 0.76 HPD (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8894469 0.76 HPD (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8492588 0.75 HPD (0.51) MEN1KMT2AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP claimed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP claimed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0470856-B1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE POULENC AGRICULTURE (GB) 1995-10-11 EP disclosed
EP-0470856-A1 Isoxazole derivatives, process for their preparation and their herbicidal applications RHONE-POULENC AGRICULTURE LTD. (GB) 1992-02-12 EP disclosed