SCHEMBL3707161

SCHEMBL3707161

CCOC(=O)c1sc(-c2ccc3c(c2)c(C=O)cn3C(C)C)nc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.49
DBF4 Q9UBU7 6/20 0.49
XDH P47989 2/20 0.47
TRPM8 Q7Z2W7 7/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL3715828 0.90 CDC7 (0.47) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3715829 0.90 CDC7 (0.47) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3715827 0.90 CDC7 (0.47) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3711943 0.90 CDC7 (0.52) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3713956 0.87 CDC7 (0.51) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3708183 0.84 XDH (0.67) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3711238 0.83 CDC7 (0.47) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3704887 0.82 CDC7 (0.46) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3711111 0.81 CDC7 (0.49) CDC7DBF4XDHTRPM8KDM4E
SCHEMBL3711110 0.81 CDC7 (0.49) CDC7DBF4XDHTRPM8KDM4E

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 disclosed
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