SCHEMBL3713488

SCHEMBL3713488

CCOC(=O)c1sc(-c2ccc3c(c2)c(C#N)cn3C(C)COC)nc1C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.67
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
BLVRB P30043 1/20 0.47
TARBP2 Q15633 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPID Q08752 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
SCHEMBL3710722 0.92 XDH (0.70) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3715585 0.91 XDH (0.82) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3708183 0.90 XDH (0.67) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3710665 0.90 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3710667 0.89 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3714640 0.84 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3707310 0.84 XDH (0.58) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3707737 0.83 XDH (0.58) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3704100 0.83 XDH (0.62) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3704481 0.83 XDH (0.57) XDHABCC4ABCB11PGRCHRM1

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