SCHEMBL3704887

SCHEMBL3704887

CCOC(=O)c1sc(-c2ccc3c(c2)c(C=O)cn3CC2CC2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
ICMT O60725 5/20 0.44
TRPM8 Q7Z2W7 6/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XDH P47989 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL3708168 0.91 CDC7 (0.44) CDC7DBF4ICMTTRPM8ALDH1A1
SCHEMBL3708169 0.91 CDC7 (0.44) CDC7DBF4ICMTTRPM8ALDH1A1
SCHEMBL3708167 0.91 CDC7 (0.44) CDC7DBF4ICMTTRPM8ALDH1A1
SCHEMBL3707266 0.85 XDH (0.57) CDC7DBF4ICMTXDH
SCHEMBL3714294 0.84 CDC7 (0.45) CDC7DBF4ICMTTRPM8ALDH1A1
SCHEMBL3715575 0.82 CDC7 (0.52) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL3706584 0.82 XDH (0.55) CDC7DBF4XDH
SCHEMBL3707161 0.82 CDC7 (0.49) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL7894491 0.76 CDC7 (0.51) CDC7DBF4TRPM8ALDH1A1KDM4E
SCHEMBL7891786 0.75 CDC7 (0.50) CDC7DBF4TRPM8ALDH1A1KDM4E

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