SCHEMBL6987951

SCHEMBL6987951

NCCOC(F)OC(=O)c1noc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 16/20 0.41
RAPGEF3 O95398 2/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL6988531 0.76 HIF1A (0.44) HIF1ATP53SMN1; SMN2CA12CA1
SCHEMBL6993467 0.75 FAAH (0.40) HIF1ARAPGEF3TP53SMN1; SMN2CA12
SCHEMBL6991003 0.73 HIF1A (0.56) HIF1ATP53SMN1; SMN2
SCHEMBL6986448 0.72 HIF1A (0.43) HIF1ARAPGEF3TP53SMN1; SMN2
SCHEMBL6995937 0.70 HIF1A (0.45) HIF1A
SCHEMBL6989463 0.70 HIF1A (0.43) HIF1ARAPGEF3CA12CA1CA2
SCHEMBL30615702 0.70 HIF1A (0.61) HIF1ATP53SMN1; SMN2
SCHEMBL6991889 0.69 FAAH (0.38) TP53SMN1; SMN2CA12CA1CA2
SCHEMBL30174438 0.69 KDM4E (0.52) HIF1AMAOB
SCHEMBL1572943 0.69 KDM4E (0.52) HIF1AMAOB

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