SCHEMBL6993230

SCHEMBL6993230

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
BRD4 O60885 2/20 0.38
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 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) IDO1BRD4MAPTTDP1POLB
SCHEMBL6988361 0.87 IDO1 (0.49) IDO1MAPTKDM4EALDH1A1HPGD
SCHEMBL6987134 0.87 IDO1 (0.49) IDO1BRD4MAPTTDP1POLB
SCHEMBL6991814 0.86 IDO1 (0.45) IDO1BRD4CA12CA1CA2
SCHEMBL6990915 0.85 IDO1 (0.43) IDO1BRD4CA12CA1CA2
SCHEMBL6992047 0.80 CA12 (0.47) IDO1BRD4CA12CA1CA2
SCHEMBL6987128 0.79 IDO1 (0.41) IDO1MAPTTDP1POLBKDM4E
SCHEMBL6988657 0.78 IDO1 (0.51) IDO1MAPTTDP1POLBKDM4E
SCHEMBL8200678 0.76 IDO1 (0.49) IDO1MAPTTDP1POLBKDM4E
SCHEMBL6989592 0.75 IDO1 (0.42) IDO1MAPTTDP1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP 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