SCHEMBL6993391

SCHEMBL6993391

CC(C)(C)OC(=O)NCCSc1noc2ncc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
LMNA P02545 5/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 4/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
TTK P33981 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
SCHEMBL6988361 0.82 IDO1 (0.49) IDO1LMNAALDH1A1HPGDMEN1
SCHEMBL6995142 0.82 IDO1 (0.47) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6991931 0.81 IDO1 (0.43) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6991027 0.81 STK17B (0.40) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6992636 0.80 IDO1 (0.42) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6989444 0.79 IDO1 (0.41) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6994824 0.78 IDO1 (0.44) IDO1LMNAALDH1A1HPGDMEN1
SCHEMBL6988416 0.76 LMNA (0.48) IDO1LMNASTK17BSTK17AALDH1A1
SCHEMBL6996145 0.74 IDO1 (0.46) IDO1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6993230 0.74 IDO1 (0.45) IDO1LMNAALDH1A1HPGDMEN1

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