SCHEMBL6990790

SCHEMBL6990790

NCCOc1noc2cccc([N+](=O)[O-])c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KAT2B Q92831 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
EGFR P00533 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PIN1 Q13526 1/20 0.33
LMNA P02545 1/20 0.33
CTSD P07339 1/20 0.33
POLB P06746 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
SCHEMBL6987697 0.77 FAAH (0.39) FAAHMGLLKDM4E
SCHEMBL6990578 0.77 FAAH (0.39) KMT2AFAAHMGLLKDM4E
SCHEMBL6991760 0.77 FAAH (0.42) NPC1RAB9AMAPTFAAHMGLL
Hydrochloric Acid SCHEMBL6991233 0.76 FAAH (0.38) RAB9AFAAHMGLLKDM4E
SCHEMBL6996512 0.76 FAAH (0.38) FAAHMGLLKDM4E
SCHEMBL6996394 0.76 FAAH (0.38) GAAFAAHMGLLKDM4E
SCHEMBL6989881 0.76 FAAH (0.41) FAAHMGLLKDM4E
SCHEMBL6993965 0.76 FAAH (0.39) KMT2AFAAHMGLLALDH1A1KDM4E
SCHEMBL6991006 0.76 ALDH1A1 (0.40) NPC1RAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6991390 0.75 FAAH (0.38) GAAFAAHMGLLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
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
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed