SCHEMBL6995142

SCHEMBL6995142

CC(C)(C)OC(=O)NCCSc1noc2c(Cl)cc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 4/20 0.39
PKM P14618 2/20 0.39
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL6991931 0.91 IDO1 (0.43) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6992636 0.89 IDO1 (0.42) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6989444 0.88 IDO1 (0.41) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6994824 0.87 IDO1 (0.44) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6988416 0.85 LMNA (0.48) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6988361 0.83 IDO1 (0.49) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6993391 0.82 IDO1 (0.43) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6989160 0.80 IDO1 (0.44) IDO1HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL6989592 0.77 IDO1 (0.42) IDO1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL6987128 0.77 IDO1 (0.41) IDO1HPGDHTTKDM4EMEN1

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