SCHEMBL3705885

SCHEMBL3705885

CCOC(=O)c1sc(-c2ccc3[nH]c(C)cc3c2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.59
DBF4 Q9UBU7 6/20 0.59
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TRPM8 Q7Z2W7 6/20 0.50
LMNA P02545 1/20 0.50
MMP2 P08253 2/20 0.49
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL3702956 0.84 CDC7 (0.59) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL28295520 0.81 CDC7 (0.64) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL28295522 0.80 CDC7 (0.67) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL3707182 0.80 CDC7 (0.55) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL7893016 0.79 CDC7 (0.56) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL892889 0.79 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL7890591 0.78 CDC7 (0.53) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL3710152 0.78 CDC7 (0.53) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL3710122 0.78 CDC7 (0.53) CDC7DBF4KDM4EALDH1A1TRPM8
SCHEMBL3709065 0.78 CDC7 (0.53) CDC7DBF4KDM4EALDH1A1TRPM8

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