SCHEMBL3710935

SCHEMBL3710935

CCOC(=O)c1sc(-c2cc(C)c3[nH]cc(C#N)c3c2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.49
DBF4 Q9UBU7 4/20 0.49
XDH P47989 9/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
BLVRB P30043 1/20 0.40
TARBP2 Q15633 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3717089 0.84 CDC7 (0.52) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3708562 0.83 CDC7 (0.50) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3712083 0.83 CDC7 (0.50) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3705237 0.81 CDC7 (0.48) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL20195691 0.81 CDC7 (0.55) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3708564 0.80 CDC7 (0.47) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3708563 0.80 CDC7 (0.47) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL1983504 0.78 XDH (0.65) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3709822 0.77 XDH (0.54) CDC7DBF4XDHKDM4EALDH1A1
SCHEMBL3707390 0.77 CDC7 (0.58) CDC7DBF4KDM4EALDH1A1LMNA

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