SCHEMBL6994467

SCHEMBL6994467

NCCSc1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
MAOB P27338 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
DDAH1 O94760 1/20 0.45
ADRA2C P18825 1/20 0.45
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DAO P14920 1/20 0.39
CYP1A2 P05177 3/20 0.38

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
SCHEMBL5618224 0.79 FAAH (0.39) LMNADDAH1ADRA2CCYP1A2CYP2D6
SCHEMBL6989127 0.79 MAPT (0.46) LMNAMAPT
SCHEMBL5617754 0.79 MPO (0.37) LMNADDAH1ADRA2CKDM4EMAPT
Hydrochloric Acid SCHEMBL6992021 0.78 MPO (0.36) DDAH1ADRA2CKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL6990415 0.78 FAAH (0.38) LMNADDAH1ADRA2CCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6996364 0.78 MAPT (0.44) LMNAMAPT
SCHEMBL11792108 0.76 ALDH1A1 (0.56) CA12CA1CA2LMNACA3
SCHEMBL6985525 0.76 DDAH1 (0.39) DDAH1ADRA2CCYP1A2CYP2C19CYP3A4
SCHEMBL6991893 0.76 DDAH1 (0.39) CA12CA1CA2LMNACA3
SCHEMBL5617936 0.75 DYRK1A (0.46) CYP1A2ALDH1A1KDM4EMEN1MAPT

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