SCHEMBL6993736

SCHEMBL6993736

FC(F)F.O=[N+]([O-])c1ccc2c3ccc([N+](=O)[O-])cc3[s+](C(F)(F)F)c2c1

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 1/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PTPRC P08575 3/20 0.40
S100A4 P26447 3/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
HIF1A Q16665 1/20 0.40
DAO P14920 1/20 0.39
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL10432083 0.90 KIF11 (0.43) MEN1KMT2AMAPTKIF11ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL5094785 0.88 GRIA1 (0.39) MEN1KMT2AMAPTKIF11ALDH1A1
SCHEMBL3075736 0.85 CA2 (0.37) MEN1KMT2AMAPTKIF11ALDH1A1
SCHEMBL13144458 0.84 ALDH1A1 (0.42) MEN1KMT2AMAPTKIF11ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL9420028 0.83 KIF11 (0.38) MEN1KMT2AMAPTKIF11ALDH1A1
SCHEMBL13327363 0.82 S100A4 (0.38) MEN1KMT2AMAPTKIF11ALDH1A1
SCHEMBL13304950 0.82 S100A4 (0.38) MEN1KMT2AMAPTKIF11ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL9419957 0.76 CASP6 (0.40) MEN1KMT2AMAPTKIF11PTPRC
SCHEMBL204674 0.74 TSHR (0.46) MEN1KMT2AMAPTALDH1A1PTPRC
SCHEMBL3088067 0.71 MAPT (0.50) MEN1KMT2AMAPTALDH1A1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed