SCHEMBL6986596

SCHEMBL6986596

CSc1c(F)ccc2onc(OCCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SCN9A Q15858 1/20 0.40
HTT P42858 1/20 0.38
PDK2 Q15119 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A43 Q9HB55 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 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
SCHEMBL6994606 0.87 CA12 (0.42) IDO1CA12CA1CA2CA9
SCHEMBL6991888 0.85 CA12 (0.40) IDO1CA12CA1CA2CA9
SCHEMBL6988146 0.84 CA12 (0.40) IDO1CA12CA1CA2CA9
SCHEMBL6989347 0.84 CA12 (0.42) IDO1CA12CA1CA2CA9
SCHEMBL6988434 0.83 SCN9A (0.48) IDO1CA12CA1CA2CA9
SCHEMBL6986569 0.83 IDO1 (0.39) IDO1CA12CA1CA2CA9
SCHEMBL6992284 0.81 CA12 (0.44) IDO1CA12CA1CA2CA9
SCHEMBL6991252 0.78 CA12 (0.44) IDO1CA12CA1CA2CA9
SCHEMBL6988489 0.78 CA12 (0.42) IDO1CA12CA1CA2CA9
SCHEMBL6988469 0.78 LMNA (0.45) IDO1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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