SCHEMBL6989592

SCHEMBL6989592

Cc1cccc2c(SCCNC(=O)OC(C)(C)C)noc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SSTR4 P31391 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
NQO2 P16083 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TTK P33981 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL6988416 0.88 LMNA (0.48) IDO1SMN1; SMN2POLBTSHRLMNA
SCHEMBL6987128 0.88 IDO1 (0.41) IDO1POLBTSHRLMNAGAA
SCHEMBL6991729 0.87 DRD2 (0.42) IDO1POLBLMNAGAAHPGD
SCHEMBL6993057 0.85 IDO1 (0.40) IDO1POLBTSHRLMNAGAA
SCHEMBL6991931 0.83 IDO1 (0.43) IDO1SMN1; SMN2POLBTSHRLMNA
SCHEMBL6988571 0.79 CA12 (0.43) IDO1SMN1; SMN2SSTR4NQO2
SCHEMBL6996145 0.78 IDO1 (0.46) IDO1SMN1; SMN2POLBTSHRGAA
SCHEMBL6995142 0.77 IDO1 (0.47) IDO1SMN1; SMN2TSHRLMNAGAA
SCHEMBL6988361 0.75 IDO1 (0.49) IDO1SMN1; SMN2TSHRLMNAGAA
SCHEMBL6993230 0.75 IDO1 (0.45) IDO1SMN1; SMN2POLBLMNAGAA

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