SCHEMBL6168422

SCHEMBL6168422

COC(=O)C(CCc1cccc2ccccc12)n1cnc(C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.68
MTNR1A P48039 1/20 0.41
ATM Q13315 1/20 0.39
PARP10 Q53GL7 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 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
SCHEMBL6172027 0.81 ADA (1.00) ADA
SCHEMBL6168397 0.81 ADA (1.00) ADA
SCHEMBL7664214 0.81 ADA (1.00) ADA
SCHEMBL6172973 0.80 ADA (0.50) ADA
SCHEMBL6172659 0.80 ADA (0.50) ADA
SCHEMBL7664221 0.79 ADA (0.70) ADAMTNR1APARP10MEN1KMT2A
SCHEMBL6174229 0.78 ADA (0.88) ADA
SCHEMBL6172982 0.77 ADA (0.47) ADAMEN1KMT2A
SCHEMBL6169932 0.77 ADA (0.73) ADAPARP10MEN1KMT2A
SCHEMBL6173047 0.77 ADA (0.73) ADAPARP10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed