SCHEMBL3708545

SCHEMBL3708545

CCOC(=O)c1sc(-c2cc(Br)c(N)c(C#Cc3ccccn3)c2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CDC7 O00311 10/20 0.48
DBF4 Q9UBU7 10/20 0.48
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TRPM8 Q7Z2W7 4/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 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
SCHEMBL7891474 0.89 CDC7 (0.47) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL3707925 0.88 CDC7 (0.48) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL3708460 0.87 CDC7 (0.49) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL7890658 0.82 LMNA (0.66) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL7884141 0.80 CDC7 (0.45) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL7888953 0.78 ALDH1A1 (0.56) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL7892124 0.77 CDC7 (0.55) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL3712724 0.76 CDC7 (0.55) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL2283795 0.75 CDC7 (0.57) LMNACDC7DBF4ALDH1A1KDM4E
SCHEMBL3704792 0.74 CDC7 (0.46) LMNACDC7DBF4ALDH1A1KDM4E

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