SCHEMBL6987855

SCHEMBL6987855

N#Cc1c(Cl)ccc2onc(SCCN)c12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RET P07949 1/20 0.33
ADORA1 P30542 11/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL6989436 0.85 IDO1 (0.34) MEN1KMT2AHPGDADORA1KDM4E
Hydrochloric Acid SCHEMBL6997263 0.84 IDO1 (0.34) MEN1KMT2AHPGDADORA1KDM4E
SCHEMBL6986380 0.83 KIF11 (0.33)
SCHEMBL6996544 0.80 KIF11 (0.31)
SCHEMBL6985579 0.76 DDAH1 (0.38) NPSR1RETMAPTALDH1A1STAT6
SCHEMBL6988542 0.74 ALDH1A1 (0.31) ADORA1ALDH1A1
SCHEMBL6993891 0.70 IDO1 (0.36)
SCHEMBL5618224 0.69 FAAH (0.39) KMT2AHPGDKDM4EMAPTALDH1A1
SCHEMBL6985525 0.69 DDAH1 (0.39) RETSTAT6
SCHEMBL6991893 0.69 DDAH1 (0.39) RETSTAT6

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