SCHEMBL6996544

SCHEMBL6996544

Cc1c(Cl)ccc2onc(SCCN)c12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.31
DDAH1 O94760 1/20 0.31
ADRA2C P18825 1/20 0.31
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL6986380 0.87 KIF11 (0.33) KIF11DDAH1ADRA2CPNMTTAAR1
SCHEMBL6993891 0.84 IDO1 (0.36) DDAH1ADRA2C
Hydrochloric Acid SCHEMBL6986907 0.83 IDO1 (0.36) DDAH1ADRA2C
SCHEMBL6987855 0.80 MEN1 (0.35)
SCHEMBL6985579 0.79 DDAH1 (0.38) KIF11DDAH1ADRA2CTAAR1
SCHEMBL6989219 0.77 DDAH1 (0.38) KIF11DDAH1ADRA2C
SCHEMBL5618224 0.75 FAAH (0.39) DDAH1ADRA2C
SCHEMBL6989127 0.75 MAPT (0.46)
Hydrochloric Acid SCHEMBL6996364 0.74 MAPT (0.44)
Hydrochloric Acid SCHEMBL6990415 0.74 FAAH (0.38) DDAH1ADRA2C

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