SCHEMBL3706950

SCHEMBL3706950

CCOC(=O)c1sc(-c2ccc3c(c2)c(C#N)cn3CCC(F)(F)F)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.60
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
PGR P06401 1/20 0.41
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
BLVRB P30043 1/20 0.41
TARBP2 Q15633 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TRPM8 Q7Z2W7 2/20 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
SCHEMBL3706167 0.91 XDH (0.64) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3706092 0.90 XDH (0.65) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3704100 0.90 XDH (0.62) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3713325 0.90 XDH (0.71) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3712260 0.89 XDH (0.63) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3707520 0.88 XDH (0.72) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3714640 0.88 XDH (0.74) XDHCDC7DBF4KDM4EABCC4
SCHEMBL3707616 0.87 XDH (0.61) XDHCDC7DBF4ABCC4ABCB11
SCHEMBL3708455 0.87 XDH (0.58) XDHCDC7DBF4MAPTKDM4E
SCHEMBL3708534 0.86 XDH (0.60) XDHCDC7DBF4MAPTKDM4E

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