SCHEMBL6991252

SCHEMBL6991252

Cc1c(Br)ccc2onc(OCCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
IDO1 P14902 2/20 0.40
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A43 Q9HB55 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.36
SCN9A Q15858 1/20 0.36
GABRA5 P31644 1/20 0.35
BCHE P06276 2/20 0.35
CNR2 P34972 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
SCHEMBL6992284 0.90 CA12 (0.44) CA12CA1CA2CA9IDO1
SCHEMBL6994606 0.87 CA12 (0.42) CA12CA1CA2CA9IDO1
SCHEMBL6988489 0.87 CA12 (0.42) CA12CA1CA2CA9IDO1
SCHEMBL6987846 0.86 CA12 (0.41) CA12CA1CA2CA9IDO1
SCHEMBL6988469 0.81 LMNA (0.45) CA12CA1CA2CA9IDO1
SCHEMBL6990613 0.80 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL6987623 0.80 CA12 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL6988434 0.80 SCN9A (0.48) CA12CA1CA2CA9IDO1
SCHEMBL6988529 0.80 CA12 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL6991888 0.79 CA12 (0.40) CA12CA1CA2CA9IDO1

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