SCHEMBL8492271

SCHEMBL8492271

O=[N+]([O-])c1cc(C(F)(F)F)ccc1C(Cl)c1cnoc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 4/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38

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
SCHEMBL8492169 0.88 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8492171 0.88 MAPT (0.42) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8493548 0.85 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8488250 0.85 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8490798 0.82 HPD (0.40) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8896420 0.80 HPD (0.48) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8894469 0.79 HPD (0.48) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8492588 0.79 HPD (0.51) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8895023 0.77 HPD (0.48) MEN1KMT2AMAPTALDH1A1DHODH
SCHEMBL8897035 0.76 HPD (0.48) MEN1KMT2AMAPTALDH1A1DHODH

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