SCHEMBL3714458

SCHEMBL3714458

CCOC(=O)c1sc(-c2cc(N)c3[nH]c(-c4ccccc4)cc3c2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.57
CDC7 O00311 5/20 0.51
DBF4 Q9UBU7 5/20 0.51
TRPM8 Q7Z2W7 5/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3715111 0.88 XDH (0.72) XDHALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7894346 0.87 LMNA (0.48) XDHCDC7DBF4TRPM8ALDH1A1
SCHEMBL3714233 0.85 XDH (0.54) XDHCDC7DBF4TRPM8ALDH1A1
SCHEMBL7890220 0.82 CDC7 (0.52) XDHCDC7DBF4TRPM8ALDH1A1
SCHEMBL7890859 0.81 CDC7 (0.48) XDHCDC7DBF4TRPM8ALDH1A1
SCHEMBL1316281 0.79 CDC7 (0.77) CDC7DBF4TRPM8ALDH1A1MAPT
SCHEMBL289229 0.77 CDC7 (0.73) CDC7DBF4TRPM8ALDH1A1MAPT
SCHEMBL3714429 0.76 LMNA (0.48) XDHCDC7DBF4TRPM8ALDH1A1
SCHEMBL7893019 0.75 XDH (0.56) XDHALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7888953 0.75 ALDH1A1 (0.56) CDC7DBF4TRPM8ALDH1A1MAPT

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