SCHEMBL3704792

SCHEMBL3704792

CCOC(=O)c1sc(-c2cc(C#C[Si](C)(C)C)c(N)c([N+](=O)[O-])c2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.46
DBF4 Q9UBU7 6/20 0.46
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
XDH P47989 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3716953 0.88 CDC7 (0.48) CDC7DBF4MAPTALDH1A1RECQL
SCHEMBL3709724 0.82 CDC7 (0.51) CDC7DBF4MAPTALDH1A1RECQL
SCHEMBL460614 0.75 CDC7 (0.57) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL3708460 0.75 CDC7 (0.49) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL7891474 0.75 CDC7 (0.47) CDC7DBF4MAPTALDH1A1RECQL
SCHEMBL17309802 0.74 CDC7 (0.56) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL8867203 0.74 CDC7 (0.56) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL3708545 0.74 LMNA (0.53) CDC7DBF4MAPTALDH1A1KDM4E
SCHEMBL7884141 0.73 CDC7 (0.45) CDC7DBF4MAPTALDH1A1NPSR1
SCHEMBL3709672 0.73 CDC7 (0.52) CDC7DBF4MAPTALDH1A1NPSR1

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