SCHEMBL6987134

SCHEMBL6987134

CC(C)(C)OC(=O)NCCSc1noc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.49
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
BRD4 O60885 1/20 0.38
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6996145 0.88 IDO1 (0.46) IDO1POLBGAABRD4MAPT
SCHEMBL6993230 0.87 IDO1 (0.45) IDO1POLBGAABRD4MAPT
SCHEMBL6988361 0.87 IDO1 (0.49) IDO1GAAMAPTKDM4EALDH1A1
SCHEMBL6991814 0.86 IDO1 (0.45) IDO1GAABRD4MAPTKDM4E
SCHEMBL6990915 0.85 IDO1 (0.43) IDO1POLBBRD4MAPTALDH1A1
SCHEMBL6988657 0.82 IDO1 (0.51) IDO1POLBGAAMAPTTDP1
SCHEMBL6990907 0.80 CA12 (0.45) IDO1POLBGAABRD4PLK1
SCHEMBL8200099 0.78 IDO1 (0.49) IDO1POLBGAAMAPTTDP1
SCHEMBL8200678 0.78 IDO1 (0.49) IDO1POLBGAAMAPTTDP1
SCHEMBL6991729 0.76 DRD2 (0.42) IDO1POLBGAAGPBAR1BRD4

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