SCHEMBL8488384

SCHEMBL8488384

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
DHODH Q02127 3/20 0.37
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNMA1 Q12791 1/20 0.36
HPD P32754 2/20 0.35
TTR P02766 1/20 0.34
LGALS3 P17931 1/20 0.33
LGALS4 P56470 1/20 0.33
EPHX2 P34913 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PIN1 Q13526 1/20 0.33
PPIL1 Q9Y3C6 1/20 0.33

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
SCHEMBL8492588 0.86 HPD (0.51) MAPTALDH1A1DHODHKCNMA1HPD
SCHEMBL8489206 0.86 SMN1; SMN2 (0.46) MAPTALDH1A1
SCHEMBL8489087 0.86 HTT (0.41) MAPTALDH1A1DHODHKCNMA1
SCHEMBL8492700 0.86 MAPK1 (0.36) MAPTALDH1A1DHODHHPD
SCHEMBL8045057 0.85 DHODH (0.35) MAPTALDH1A1DHODHHPDEPHX2
SCHEMBL8489215 0.84 HPD (0.42) MAPTALDH1A1DHODHKCNMA1HPD
SCHEMBL8492443 0.83 ALDH1A1 (0.43) MAPTALDH1A1DHODHTDP1HPD
SCHEMBL9114997 0.83 DHODH (0.51) MAPTALDH1A1DHODHHPDEPHX2
SCHEMBL8494532 0.83 DHODH (0.49) MAPTALDH1A1DHODHTDP1
SCHEMBL8492606 0.83 HPD (0.40) MAPTALDH1A1DHODHATMTDP1

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