SCHEMBL6989436

SCHEMBL6989436

N#Cc1c(F)ccc2onc(SCCN)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.34
ADORA1 P30542 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Hydrochloric Acid SCHEMBL6997263 0.99 IDO1 (0.34) IDO1ADORA1KDM4EMEN1ALDH1A1
SCHEMBL6987855 0.85 MEN1 (0.35) ADORA1KDM4EMEN1ALDH1A1HPGD
SCHEMBL6993891 0.79 IDO1 (0.36) IDO1L3MBTL1
Hydrochloric Acid SCHEMBL6986907 0.78 IDO1 (0.36) IDO1
SCHEMBL6985525 0.76 DDAH1 (0.39) IDO1
SCHEMBL6987159 0.73 ALDH1A1 (0.34) IDO1ALDH1A1HSD17B10
SCHEMBL6986380 0.73 KIF11 (0.33) IDO1
Hydrochloric Acid SCHEMBL6994791 0.72 ALDH1A1 (0.33) IDO1ALDH1A1HSD17B10
SCHEMBL5617754 0.70 MPO (0.37) IDO1KDM4EKMT2ALMNATDP1
SCHEMBL6991893 0.70 DDAH1 (0.39) IDO1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
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