SCHEMBL6994824

SCHEMBL6994824

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.44
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.34
NSD2 O96028 1/20 0.34
PRMT5 O14744 1/20 0.33

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
SCHEMBL6995142 0.87 IDO1 (0.47) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6991931 0.86 IDO1 (0.43) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6992636 0.84 IDO1 (0.42) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6989444 0.83 IDO1 (0.41) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6987117 0.82 KCNH2 (0.39) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6988361 0.79 IDO1 (0.49) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6993391 0.78 IDO1 (0.43) IDO1LMNAALDH1A1HPGDKDM4E
SCHEMBL6988416 0.77 LMNA (0.48) IDO1LMNAALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL6986918 0.74 KDM4E (0.31) IDO1LMNAALDH1A1KDM4EHTT
SCHEMBL6989592 0.74 IDO1 (0.42) IDO1LMNAHPGDKDM4ESMN1; SMN2

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