SCHEMBL3711097

SCHEMBL3711097

N#Cc1cn(C2CCOC2)c2ccc(-c3ncc(C(=O)O)s3)cc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.44
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL3715633 0.90 XDH (0.52) XDH
SCHEMBL3712678 0.88 XDH (0.57) XDH
SCHEMBL3705184 0.88 CDC7 (0.43) XDHKDM4C
SCHEMBL7892923 0.86 KDM4C (0.42) KDM4C
SCHEMBL1647094 0.79 XDH (0.47) XDHKDM4C
SCHEMBL3715619 0.78 XDH (0.58) XDH
SCHEMBL3712121 0.78 XDH (0.46) XDH
SCHEMBL3704059 0.77 XDH (0.55) XDH
SCHEMBL3708281 0.77 XDH (0.60) XDH
SCHEMBL3707314 0.77 XDH (0.49) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO claimed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed