SCHEMBL8488956

SCHEMBL8488956

Nc1oncc1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.47
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KCNMA1 Q12791 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL8492565 0.87 NPC1 (0.51) HPDFLT1FLT4KDRMAPT
SCHEMBL8686440 0.84 HPD (0.48) HPDFLT1FLT4KDRMAPT
SCHEMBL8492588 0.84 HPD (0.51) HPDFLT1FLT4KDRMAPT
SCHEMBL8490910 0.83 HPD (0.50) HPDFLT1FLT4KDRMAPT
SCHEMBL8488910 0.83 HPD (0.53) HPDFLT1FLT4KDRMAPT
SCHEMBL8495654 0.83 HPD (0.53) HPDFLT1FLT4KDRMAPT
SCHEMBL8492261 0.82 HPD (0.47) HPDFLT1FLT4KDRMAPT
SCHEMBL8489367 0.82 HPD (0.52) HPDFLT1FLT4KDRMAPT
SCHEMBL8495613 0.81 HPD (0.43) HPDFLT1FLT4KDRMAPT
SCHEMBL8490944 0.81 MAPT (0.44) HPDFLT1FLT4KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN claimed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP claimed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN claimed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 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
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN 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-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed