SCHEMBL3705153

SCHEMBL3705153

CCOC(=O)c1sc(-c2cc(C#N)c3[nH]c(-c4cccc(C)n4)cc3c2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.61
LMNA P02545 1/20 0.46
CDC7 O00311 3/20 0.45
DBF4 Q9UBU7 3/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
BLVRB P30043 1/20 0.40
TARBP2 Q15633 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
TRPM8 Q7Z2W7 4/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3704150 0.88 XDH (0.77) XDHKDM4EALDH1A1ABCC4ABCB11
SCHEMBL7894346 0.87 LMNA (0.48) XDHLMNACDC7DBF4KDM4E
SCHEMBL3714429 0.87 LMNA (0.48) XDHLMNACDC7DBF4KDM4E
SCHEMBL3704472 0.84 XDH (0.55) XDHLMNACDC7DBF4KDM4E
SCHEMBL3711471 0.80 XDH (0.54) XDHLMNACDC7DBF4KDM4E
SCHEMBL3713964 0.80 XDH (0.65) XDHLMNACDC7DBF4KDM4E
SCHEMBL3704800 0.77 XDH (0.79) XDHLMNAKDM4EALDH1A1ABCC4
SCHEMBL2186318 0.77 CDC7 (0.55) XDHLMNACDC7DBF4KDM4E
SCHEMBL3704893 0.76 XDH (1.00) XDHLMNAKDM4EALDH1A1ABCC4
SCHEMBL3718947 0.74 XDH (0.56) XDHLMNAKDM4EALDH1A1TARBP2

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 1 patent. 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