SCHEMBL3715772

SCHEMBL3715772

CCOC(=O)c1sc(-c2ccc3c(c2)c([N+](=O)[O-])cn3C(C)CC)nc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
CDC7 O00311 3/20 0.47
DBF4 Q9UBU7 3/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
PTPN11 Q06124 1/20 0.40
TRPM8 Q7Z2W7 6/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL3711238 0.94 CDC7 (0.47) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3712007 0.90 XDH (0.61) XDHKDM4EALDH1A1THRATHRB
SCHEMBL3715639 0.87 CDC7 (0.50) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3706727 0.87 CDC7 (0.46) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3708174 0.86 CDC7 (0.49) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3710722 0.84 XDH (0.70) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3705195 0.83 CDC7 (0.46) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3709851 0.82 XDH (0.53) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3714294 0.82 CDC7 (0.45) XDHCDC7DBF4KDM4EALDH1A1
SCHEMBL3710951 0.81 XDH (0.56) XDHKDM4EALDH1A1THRATHRB

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