SCHEMBL4716595

SCHEMBL4716595

CC(C)COc1ccc(C(=O)c2c(N)cc(N)nc2O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
PRSS1 P07477 4/20 0.43
MYC P01106 2/20 0.42
MAX P61244 2/20 0.42
AR P10275 1/20 0.41
PELP1 Q8IZL8 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
SCHEMBL27613391 0.91 XDH (0.48) XDHPRSS1MYCMAXAR
SCHEMBL4718483 0.81 XDH (0.47) XDHPRSS1MYCMAXAR
SCHEMBL28451159 0.77 MYC (0.58) PRSS1MYCMAXARPELP1
SCHEMBL17395859 0.76 ALDH1A1 (0.59) XDHPRSS1MYCMAXAR
SCHEMBL4717487 0.76 MYC (0.64) XDHPRSS1MYCMAX
SCHEMBL2810372 0.75 AR (0.49) XDHPRSS1MYCMAXAR
SCHEMBL4716592 0.75 MYC (0.51) XDHMYCMAXARPELP1
SCHEMBL4717489 0.75 PDK1 (0.52) XDHPRSS1MYCMAXAR
SCHEMBL4718892 0.74 AR (0.67) XDHMYCMAXARPELP1
SCHEMBL2773030 0.74 AR (0.55) XDHPRSS1MYCMAXAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
CN-101092400-A Xanthine oxidase inhibitor NIPPON CHEMIPHAR CO (JP) 2007-12-26 CN disclosed
CN-100338040-C xanthine oxidase inhibiting compounds NIPPON CHEMIPHAR CO (JP) 2007-09-19 CN disclosed
CN-1615299-A Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO (JP) 2005-05-11 CN disclosed
EP-1452528-A1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-09-01 EP disclosed