SCHEMBL3707464

SCHEMBL3707464

COCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.90
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
PGR P06401 1/20 0.52
CHRM1 P11229 1/20 0.52
PDE4A P27815 1/20 0.52
BLVRB P30043 1/20 0.52
TARBP2 Q15633 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52

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
SCHEMBL3702964 0.95 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3708919 0.91 XDH (0.84) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3714640 0.90 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3704200 0.90 XDH (0.76) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3712270 0.90 XDH (0.76) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3711026 0.88 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3711568 0.88 XDH (0.79) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3718937 0.88 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3711105 0.87 XDH (0.72) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3713325 0.86 XDH (0.71) 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 3 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 claimed
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