SCHEMBL3715571

SCHEMBL3715571

Cc1nc(-c2cc(C#N)c3[nH]c(Cc4ccccc4)cc3c2)sc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.74
SMN1; SMN2 Q16637 4/20 0.52
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
PGR P06401 1/20 0.50
CHRM1 P11229 1/20 0.50
PDE4A P27815 1/20 0.50
BLVRB P30043 1/20 0.50
TARBP2 Q15633 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3705172 0.85 XDH (0.66) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3706874 0.85 XDH (0.66) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3704893 0.85 XDH (1.00) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3704800 0.80 XDH (0.79) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3704150 0.79 XDH (0.77) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL12402798 0.78 XDH (0.67) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL2185636 0.78 XDH (0.67) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL3711471 0.76 XDH (0.54) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3705312 0.74 XDH (0.70) XDHSMN1; SMN2ABCC4ABCB11PGR
SCHEMBL19523354 0.74 XDH (0.66) XDHSMN1; SMN2ABCC4ABCB11PGR

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