SCHEMBL6991006

SCHEMBL6991006

NCCOc1noc2cccc(C(N)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
AURKB Q96GD4 6/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SYK P43405 1/20 0.37
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
PARP1 P09874 1/20 0.35
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
Hydrochloric Acid SCHEMBL5618216 0.99 ALDH1A1 (0.39) ALDH1A1GLAFAAHMGLLAURKB
SCHEMBL6993965 0.89 FAAH (0.39) ALDH1A1FAAHMGLLAURKBKDM4E
SCHEMBL6991760 0.85 FAAH (0.42) FAAHMGLLAURKBMKNK2KDM4E
SCHEMBL6988534 0.85 FAAH (0.39) ALDH1A1FAAHMGLLAURKBKIT
Hydrochloric Acid SCHEMBL6990615 0.84 FAAH (0.39) ALDH1A1FAAHMGLLAURKBKIT
SCHEMBL6987697 0.80 FAAH (0.39) FAAHMGLLAURKBKDM4EKIT
SCHEMBL6990578 0.80 FAAH (0.39) FAAHMGLLAURKBMKNK2KDM4E
SCHEMBL6988477 0.79 KDM4E (0.43) ALDH1A1FAAHMGLLAURKBKDM4E
SCHEMBL6991153 0.78 IDO1 (0.33) MKNK1MKNK2AURKARPS6KB1NPC1
SCHEMBL6996394 0.78 FAAH (0.38) FAAHMGLLAURKBKDM4EKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP 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
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed