SCHEMBL6988534

SCHEMBL6988534

COC(=O)c1cccc2onc(OCCN)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
AURKB Q96GD4 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TOP2A P11388 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TRPA1 O75762 2/20 0.36

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 SCHEMBL6990615 0.99 FAAH (0.39) FAAHMGLLAURKBTP53POLB
SCHEMBL6993965 0.85 FAAH (0.39) FAAHMGLLAURKBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5618216 0.84 ALDH1A1 (0.39) FAAHMGLLAURKBTSHRLMNA
SCHEMBL6991760 0.82 FAAH (0.42) FAAHMGLLAURKBMAPTKIT
SCHEMBL6988535 0.81 POLB (0.41) AURKBTP53POLBTSHRLMNA
SCHEMBL6988537 0.80 ALDH1A1 (0.34) TP53POLBTSHRLMNAALDH1A1
SCHEMBL6992699 0.80 LMNA (0.38) FAAHTP53POLBTSHRLMNA
SCHEMBL27469574 0.80 CYP17A1 (0.41) FAAHMGLLTSHRLMNAALDH1A1
SCHEMBL6988405 0.79 CA12 (0.44) LMNACA1CA2CA9HIF1A
Hydrochloric Acid SCHEMBL6992878 0.79 MAPT (0.35) TP53POLBLMNAALDH1A1HSD17B10

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 7 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
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