SCHEMBL3712656

SCHEMBL3712656

CCOC(=O)c1sc(-c2cc(Br)c3[nH]c(COC)cc3c2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.50
DBF4 Q9UBU7 6/20 0.50
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 5/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
DHODH Q02127 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3712683 0.88 CDC7 (0.48) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3711471 0.85 XDH (0.54) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL1983007 0.80 CDC7 (0.56) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL7893164 0.79 CDC7 (0.52) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3714429 0.79 LMNA (0.48) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3703604 0.78 CDC7 (0.52) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3706864 0.77 RAB9A (0.47) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL3706676 0.77 CDC7 (0.48) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL3710384 0.76 CDC7 (0.48) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL2184826 0.75 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 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