SCHEMBL6991058

SCHEMBL6991058

O=C(O)c1c[n+]([O-])ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ASPH Q12797 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CES2 O00748 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.35
KDM1A O60341 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
DAO P14920 1/20 0.34
FABP4 P15090 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK14 Q16539 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
SCHEMBL31132730 0.86 MEN1 (0.42) MEN1KMT2AASPHALDH1A1CES2
SCHEMBL4256899 0.84 CES2 (0.36) MEN1KMT2AALDH1A1CES2LMNA
SCHEMBL6380899 0.80 MAPT (0.43) CES2LMNAGAAKDM4EP2RX7
SCHEMBL1015022 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1015021 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1447612 0.75
SCHEMBL8847188 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4881052 0.72 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2021797 0.72 MEN1 (0.46) MEN1KMT2AASPHALDH1A1LMNA
SCHEMBL8546431 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CES2LMNA

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