SCHEMBL3712258

SCHEMBL3712258

CCOC(=O)c1sc(-c2ccc3c(c2)c(Cl)cn3C2CCCCC2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.47
DBF4 Q9UBU7 5/20 0.47
TRPM8 Q7Z2W7 5/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
PTPN11 Q06124 1/20 0.40
DHODH Q02127 1/20 0.39
PDE5A O76074 1/20 0.38

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
SCHEMBL3705829 0.99 CDC7 (0.47) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL3713403 0.88 CDC7 (0.44) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL3706147 0.88 RAB9A (0.49) KDM4EALDH1A1
SCHEMBL3714301 0.87 RAB9A (0.50) KDM4EALDH1A1
SCHEMBL3706016 0.86 XDH (0.52) CDC7DBF4KDM4EALDH1A1
SCHEMBL3709450 0.84 XDH (0.52) CDC7DBF4KDM4EALDH1A1
SCHEMBL7891290 0.82 CDC7 (0.45) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL3712069 0.82 XDH (0.54) CDC7DBF4TRPM8KDM4EALDH1A1
SCHEMBL3705195 0.81 CDC7 (0.46) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL3713956 0.81 CDC7 (0.51) CDC7DBF4TRPM8MAPTKDM4E

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