SCHEMBL6990713

SCHEMBL6990713

NCCOc1noc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KIF11 P52732 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 2/20 0.32
PLA2G2A P14555 1/20 0.32
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31

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 SCHEMBL6992044 0.98 FAAH (0.39) FAAHMGLLEPHX2KDM4ETAAR1
SCHEMBL8203805 0.77 CA12 (0.35) EPHX2KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL5618341 0.77 FAAH (0.65) FAAHMGLLKDM4ETAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL6998346 0.75 FAAH (0.63) FAAHMGLLKDM4ETAAR1SMN1; SMN2
SCHEMBL6993197 0.75 FAAH (0.35) FAAHMGLLKDM4ETAAR1PRKCH
SCHEMBL6994003 0.75 KCNH2 (0.39) FAAHMGLLKDM4ETAAR1PRKCH
SCHEMBL6987631 0.74 FAAH (0.40) FAAHMGLLEPHX2KDM4ETAAR1
Hydrochloric Acid SCHEMBL6993834 0.73 FAAH (0.39) FAAHMGLLEPHX2KDM4ETAAR1
SCHEMBL6987697 0.73 FAAH (0.39) FAAHMGLLKDM4ETAAR1SMN1; SMN2
SCHEMBL6991760 0.73 FAAH (0.42) FAAHMGLLKDM4ETAAR1PRKCQ

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