SCHEMBL3704472

SCHEMBL3704472

CCOC(=O)c1sc(-c2cc(C#N)c3[nH]c(-c4cnccn4)cc3c2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.55
CDC7 O00311 8/20 0.49
DBF4 Q9UBU7 8/20 0.49
LMNA P02545 1/20 0.45
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
TARBP2 Q15633 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3705312 0.89 XDH (0.70) XDHCDC7DBF4ABCC4ABCB11
SCHEMBL3703604 0.87 CDC7 (0.52) XDHCDC7DBF4LMNATRPM8
SCHEMBL7890220 0.87 CDC7 (0.52) XDHCDC7DBF4LMNATRPM8
SCHEMBL3705153 0.84 XDH (0.61) XDHCDC7DBF4LMNAABCC4
SCHEMBL3711471 0.79 XDH (0.54) XDHCDC7DBF4LMNAABCC4
SCHEMBL3713964 0.79 XDH (0.65) XDHCDC7DBF4LMNATRPM8
SCHEMBL3704800 0.76 XDH (0.79) XDHLMNAABCC4ABCB11PGR
SCHEMBL13178517 0.76 CDC7 (0.81) CDC7DBF4LMNATRPM8TP53
SCHEMBL7886674 0.75 XDH (0.50) XDHCDC7DBF4LMNATARBP2
SCHEMBL3712062 0.75 XDH (0.50) XDHCDC7DBF4LMNATARBP2

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