SCHEMBL8495654

SCHEMBL8495654

O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnoc1C1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.53
DHODH Q02127 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MAPK1 P28482 2/20 0.40
KCNMA1 Q12791 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL8489367 0.99 HPD (0.52) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8492588 0.97 HPD (0.51) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8489215 0.88 HPD (0.42) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8492606 0.87 HPD (0.40) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8492579 0.86 HPD (0.47) HPDMEN1KMT2AMAPTALDH1A1
SCHEMBL8492565 0.84 NPC1 (0.51) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8488956 0.83 HPD (0.47) HPDMEN1KMT2AMAPTALDH1A1
SCHEMBL8488384 0.83 MAPT (0.38) HPDDHODHMAPTALDH1A1KCNMA1
SCHEMBL8896420 0.82 HPD (0.48) HPDDHODHMEN1KMT2AMAPT
SCHEMBL8894469 0.81 HPD (0.48) HPDDHODHMEN1KMT2AMAPT

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 14 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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO 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